Chemical ID: 6877463

CCOC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)c3ccc(c(c3)C)C
Chemical ID:
6877463
Name [?]:
ethyl 4-(3,4-dimethylphenyl)-2-(4-methyl-3-nitro-benzoyl)amino-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)c3ccc(c(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N2O5S
All Atoms:53
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.42806
Area:668.134
Solvation:-8.27528
Coulombic:-53.369
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.497
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.86
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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