60622460
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6.2033
2.181
3.6622
5.3943
5.7078
4.1254
4.5853
4.5322
4.3065
3.9444
4.8943
5.3943
4.7132
5.3943
4.3511
2.9499
4.5283
5.8943
6.2603
2.7688
4.5283
3.7634
2.3621
5.3943
6.2603
2.5878
2
3.5823
2.7962
6.2603
2.4067
3.989
3.4013
5.0462
4.9629
3.7925
3.8758
3.5088
4.9677
2.6977
3.9913
6.2587
6.7972
4.0155
1.7455
6.7972
1.3834
3.9467
3.1062
2.2593
2.4862
5.9503
6.7972
6.5703
2.0423
4.6056
3.6534
-2.6426
4.9897
-6.2303
-7.2303
0.1356
0.8401
-2.6426
1.7536
-0.8825
2.5626
-1.6915
-4.2303
0.0311
-3.2303
3.4762
2.4581
-4.7303
-1.6915
-4.7303
4.1807
-5.7303
4.2852
3.2671
-6.2303
-5.7303
5.9032
6.7123
6.0078
-5.7303
-7.7303
7.6258
6.9213
7.7303
1.4069
2.1996
-0.5358
-1.3285
0.7753
3.541
1.8917
-4.4203
-1.1899
-4.4203
4.8516
3.2023
-6.0403
6.6474
5.5062
-5.1934
-5.4203
-6.2673
-8.2673
-8.0403
-7.1934
8.1274
6.9861
8.2967
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
7
7
10
10
11
12
12
15
16
17
19
20
20
21
24
26
26
27
28
31
32
14
18
11
14
15
16
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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
595
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
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B38004000000000000000000000000001600000003060C000000000000001D400001E04100000000C0CC5DE06B28792C81408AC032572540082F8A0612A380888B53EAC980D26BAA4F51B86382AE4D611AAA807B0D0120E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-[(4-phenoxyphenyl)methyl]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-[(4-phenoxyphenyl)methyl]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-[(4-phenoxyphenyl)methyl]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-(4-phenoxybenzyl)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C26H24N2O4S/c1-30-23-13-10-19(14-24(23)31-2)26-28-20(17-33-26)15-25(29)27-16-18-8-11-22(12-9-18)32-21-6-4-3-5-7-21/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WBJGNTHCYRONAO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.145678
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C26H24N2O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.54476
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
97.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.145678
33
0
0
0
0
0
0
0
1
2