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6.1105
10.8803
12.8373
5.5714
2.4067
4.6215
11.2375
7.5887
6.2038
11.2375
11.8211
10.2913
10.2913
9.4252
9.4252
8.5592
11.5481
8.5592
7.6932
12.5267
6.7796
6.6105
13.8158
5.2092
4.8025
3.808
5.3903
4.9836
3.4013
3.989
5.1646
2
10.9865
11.7749
12.282
12.282
9.4252
9.4252
8.0223
12.5472
13.1405
6.6507
6.5682
13.9437
14.4225
13.688
3.4436
6.0069
3.7369
4.5982
4.9124
5.731
1.4336
1.7478
2.5664
0.8941
4.73
5.1425
-4.4352
-3.0262
-0.181
3.0352
0.236
-0.8855
1.4258
2.2305
1.7305
2.7305
1.2305
3.2305
1.7305
3.9857
2.7305
1.2305
4.192
1.6372
0.0281
5.3487
-0.99
-1.9036
-2.0081
-2.7126
-3.6261
-2.9216
-3.7307
-5.3487
-3.9397
0.8588
1.1165
1.8158
2.6452
0.6105
3.8505
3.0405
3.5723
4.1046
2.2437
-1.3871
4.742
5.4765
5.9554
-1.5065
-2.6478
-4.2971
-5.0965
-5.9151
-5.6009
-3.6875
-4.5061
-4.1919
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
656
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B3800400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CE5DE06B3D793C81408AC032572740282F8A9652A390988357E6CD88E27B2E4BD9F8531286DC717D8E9A7BAE8DC8E08000308000200001000061000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)indolin-5-yl]thiazol-2-yl]benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(2-methoxy-1-oxoethyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]benzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(2-methoxyethanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)indolin-5-yl]thiazol-2-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H23N3O5S/c1-29-12-21(27)26-7-6-15-8-14(4-5-20(15)26)19-13-32-23(24-19)25-22(28)16-9-17(30-2)11-18(10-16)31-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,24,25,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
QKSHBFODFUXUIY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
453.135842
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C23H23N3O5S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
453.51082
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
118
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
453.135842
32
0
0
0
0
0
0
0
1
3