Chemical ID: 5035136

COc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
Chemical ID:
5035136
Name [?]:
5-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H19N3O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:5.12571
Area:640.794
Solvation:-10.8941
Coulombic:-44.364
Bond Count [?]
All:40
Single:25
Double:15
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:497.523
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.14
LogP (Chemaxon):6.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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