Chemical ID: 6877466

CCOC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6877466
Name [?]:
ethyl 2-(4-methyl-3-nitro-benzoyl)amino-4-(3-nitrophenyl)-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17N3O7S
All Atoms:49
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:3.04207
Area:673.877
Solvation:-13.8049
Coulombic:-64.1439
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:455.442
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:4.75
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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