Chemical ID: 6392522

CCOC(=O)c1c(c(c(s1)NC(=O)c2ccccc2[N+](=O)[O-])C#N)C
Chemical ID:
6392522
Name [?]:
ethyl 4-cyano-3-methyl-5-(2-nitrobenzoyl)amino-thiophene-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(c(s1)NC(=O)c2ccccc2[N+](=O)[O-])C#N)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13N3O5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.08929
Area:556.32
Solvation:-9.81872
Coulombic:-52.5604
Bond Count [?]
All:26
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.358
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.35
LogP (Chemaxon):2.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue