N-[(4-methoxyphenyl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[(4-methoxyphenyl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
Compound ID: | 8014-1147 |
Compound Name: | N-[(4-methoxyphenyl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
Molecular Weight: | 354.32 |
Molecular Formula: | C18 H14 N2 O6 |
Smiles: | COc1ccc(CNC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.3943 |
logD: | 2.3943 |
logSw: | -2.9505 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.499 |
InChI Key: | CNCQPBABRGBRBR-UHFFFAOYSA-N |