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6.1105
10.8803
4.6215
2.4067
5.5714
11.2375
7.5887
6.2038
11.2375
11.8211
10.2913
10.2913
12.0475
10.9301
9.4252
9.4252
11.5481
8.5592
8.5592
12.5267
7.6932
12.8373
6.7796
6.6105
5.2092
4.8025
5.3903
3.808
3.4013
4.9836
3.989
2
5.1646
12.282
12.282
12.4111
12.5497
11.684
11.5201
10.7395
10.3401
9.4252
9.4252
8.0223
13.1405
12.5472
12.248
13.0299
13.4266
6.6507
6.5682
6.0069
3.4436
3.7369
2.5664
1.7478
1.4336
5.731
4.9124
4.5982
-0.9972
-4.8332
0.0779
2.9231
4.332
-3.1383
-0.3391
0.7824
-1.5289
-2.3336
-1.8336
-2.8336
-0.9425
-0.5773
-1.3336
-3.3336
-4.0888
-1.8336
-2.8336
-4.2951
-1.3336
-5.2456
-1.7403
-0.1312
0.8869
1.8005
2.6095
1.905
2.8185
3.523
3.6276
3.8366
5.2456
-2.7483
-1.9189
-1.4447
-0.5789
-0.4403
-0.3867
0.0127
-0.7678
-0.7136
-3.9536
-3.1436
-4.2077
-3.6754
-5.4382
-5.8349
-5.053
-2.3468
1.284
2.5447
1.4034
4.194
4.0888
4.403
3.5844
5.4978
5.812
4.9934
8
8
8
8
8
8
8
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8
8
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8
1
1
7
7
11
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
708
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3800400000000000000000000000000162C0000030600000000000005801D000001E04100000000E0CC5DE06B3D793C81408AC032572740082F8A9652A390988353E6CD88C27B2E4BD9B8431286DC717C8E9A7BAE8DC8F88000308000200001000061000040000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3,3-dimethyl-1-propanoyl-indolin-5-yl)thiazol-2-yl]-3,5-dimethoxy-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-[3,3-dimethyl-1-(1-oxopropyl)-2H-indol-5-yl]-2-thiazolyl]-3,5-dimethoxybenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3,3-dimethyl-1-propanoyl-2H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3,3-dimethyl-1-propanoyl-2H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3,3-dimethyl-1-propionyl-indolin-5-yl)thiazol-2-yl]-3,5-dimethoxy-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H27N3O4S/c1-6-22(29)28-14-25(2,3)19-11-15(7-8-21(19)28)20-13-33-24(26-20)27-23(30)16-9-17(31-4)12-18(10-16)32-5/h7-13H,6,14H2,1-5H3,(H,26,27,30)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YVPBCABOSDTXPD-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
465.172227
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H27N3O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
465.56458
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)N1CC(C2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC)(C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)N1CC(C2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC)(C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
465.172227
33
0
0
0
0
0
0
0
1
3