Chemical ID: 6579151

COC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)c3ccccc3
Chemical ID:
6579151
Name [?]:
methyl 2-(4-chloro-3-nitro-benzoyl)amino-4-phenyl-thiophene-3-carboxylate
SMILES [?]:
COC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H13ClN2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.93587
Area:604.36
Solvation:-9.17312
Coulombic:-51.8245
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.836
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.95
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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