60599641
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255
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10.1547
7.9244
13.2448
12.6301
4.6783
6.2781
8.9541
5.2619
4.6783
3.732
3.732
4.9889
6.2619
5.9674
2.866
2.866
2
2
7.2566
7.5673
8.5458
9.2878
9.9484
10.6188
11.5966
10.3115
12.267
11.9597
10.9819
13.5522
12.3227
5.5436
4.4272
5.2156
4.9684
4.3751
6.2619
6.8819
6.2619
5.988
6.5812
2.866
2.866
1.4631
1.4631
5.864
7.5467
6.9534
9.2219
11.7872
9.7052
10.7913
12.9622
13.7428
14.1422
12.9127
12.1322
11.7327
0.1025
-1.6266
2.1458
4.0489
-3.1958
-1.0885
1.1872
-4.0005
-4.8053
-3.5005
-4.5005
-2.2453
-4.0005
-2.0391
-3.0005
-5.0005
-3.5005
-4.5005
-0.8823
0.0682
0.2744
-0.396
1.081
1.823
1.6134
2.7746
2.3554
3.307
3.5166
1.1942
5.0005
-3.4482
-5.3722
-5.1145
-1.6256
-2.1579
-4.6205
-4.0005
-3.3805
-2.6587
-2.1264
-2.3805
-5.6205
-3.1905
-4.8105
-0.6271
0.6879
0.1555
-1.0125
1.0234
2.9045
4.1066
1.0036
0.6042
1.3848
5.1911
5.5905
4.81
8
8
8
8
3
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
7
7
8
10
10
11
15
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
594
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B3000400000000000000000000000000162C0000030600000000000005801D000001E04100000000C2CC5DE06B2C793C81408AC032572540082F8A0612A380888B53EEC980D66BAE4F59B94302A64D611EAE807B0D0920E20000100000240004000020000048000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-[2-(2-methylindolin-1-yl)ethyl]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-[2-(2-methylindolin-1-yl)ethyl]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C24H27N3O3S/c1-16-12-17-6-4-5-7-20(17)27(16)11-10-25-23(28)14-19-15-31-24(26-19)18-8-9-21(29-2)22(13-18)30-3/h4-9,13,15-16H,10-12,14H2,1-3H3,(H,25,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
RVSNYMVQSONKFE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
437.177313
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C24H27N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
437.55448
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1CC2=CC=CC=C2N1CCNC(=O)CC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1CC2=CC=CC=C2N1CCNC(=O)CC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
91.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
437.177313
31
1
0
1
0
0
0
0
1
2