Chemical ID: 4843669

COc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=Nc3ccccc3)S2)C4CCCC4
Chemical ID:
4843669
Name [?]:
3-cyclopentyl-5-[(4-methoxy-3-nitro-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=Nc3ccccc3)S2)C4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:4.486
Area:596.888
Solvation:-10.4362
Coulombic:-42.5918
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:423.486
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.18
LogP (Chemaxon):5.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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