N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 1989-9274 |
| Compound Name: | N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 381.3 |
| Molecular Formula: | C18 H11 N3 O7 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(NC1=Cc2cccc(c2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5775 |
| logD: | 3.4996 |
| logSw: | -3.863 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.148 |
| InChI Key: | DQJVRDPLOACBAU-UHFFFAOYSA-N |