35261847
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6.3776
4.8255
4.5981
4.5981
6.5468
8.0413
2.866
6.9535
6.3657
5.5686
7.0468
5.4641
6.7725
4.5981
4.5981
3.732
5.4641
8.6291
4.5981
3.732
5.4641
9.6236
8.2224
3.732
10.2114
8.8101
3.732
9.8047
2.866
3.732
2
3.732
2
2.866
7.4675
7.3842
5.8517
5.935
7.3389
7.0246
6.2061
4.0611
3.1951
6.001
3.1951
6.001
9.8758
7.6057
3.52
3.1215
10.828
8.558
10.1691
2.3291
4.269
1.4631
4.269
1.4631
2.866
2.424
4.4944
-1.6693
-3.6693
4.0332
3.0626
-3.6693
4.9467
5.7557
3.8252
3.1671
2.8307
6.6693
2.3307
1.3307
0.8307
0.8307
3.8716
-0.6693
-0.1693
-0.1693
3.7671
4.7852
-2.1693
4.5761
5.5942
-3.1693
5.4897
-4.6693
-5.1693
-5.1693
-6.1693
-6.1693
-6.6693
4.6
5.3927
6.1024
5.3097
6.4171
7.2357
6.9214
2.6407
1.1407
1.1407
-0.4793
-0.4793
3.2007
4.85
-1.5867
-2.2769
4.5113
6.1606
5.9912
-3.3593
-4.8593
-4.8593
-6.4793
-6.4793
-7.2893
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
748
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B30004000000000000000000000000001600000003060C0000000000000015000001E04100000000C0CE1D80633C683C00408A802255274028218016122100988004E6CC80E2622C4B99F873828E4D611D8E98790C0000E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(Z)-(4-oxo-2-phenylimino-3-propyl-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenyl-acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(Z)-(4-oxo-2-phenylimino-3-propyl-5-thiazolidinylidene)methyl]phenoxy]-N-phenylacetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(Z)-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(Z)-(4-oxidanylidene-2-phenylimino-3-propyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenyl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(Z)-(4-keto-2-phenylimino-3-propyl-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenyl-acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C27H25N3O3S/c1-2-17-30-26(32)24(34-27(30)29-22-11-7-4-8-12-22)18-20-13-15-23(16-14-20)33-19-25(31)28-21-9-5-3-6-10-21/h3-16,18H,2,17,19H2,1H3,(H,28,31)/b24-18-,29-27?
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
CTOJZIGBOOLHTB-OOBWJGTRSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
471.161663
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C27H25N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
471.5707
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCCN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)SC1=NC4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)/SC1=NC4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
96.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
471.161663
34
0
0
0
1
1
0
0
1
3