Chemical ID: 4158757

CCOC(=O)c1c(csc1NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)Cl
Chemical ID:
4158757
Name [?]:
ethyl 4-(4-chlorophenyl)-2-(4-nitrobenzoyl)amino-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15ClN2O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.29084
Area:646.259
Solvation:-8.86564
Coulombic:-53.5868
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.862
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.38
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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