ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
Compound characteristics
| Compound ID: | 8016-0163 |
| Compound Name: | ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(4-methylphenyl)propanoate |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C23 H22 N2 O8 |
| Smiles: | CCOC(CC(c1ccc(C)cc1)NC(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6744 |
| logD: | 3.6739 |
| logSw: | -4.0204 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.059 |
| InChI Key: | HQPBCXLSLORVOA-SFHVURJKSA-N |