ethyl 3-[(6,8-dichloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(6,8-dichloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(6,8-dichloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8013-3847 |
| Compound Name: | ethyl 3-[(6,8-dichloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 479.27 |
| Molecular Formula: | C21 H16 Cl2 N2 O7 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(C1=Cc2cc(cc(c2OC1=O)[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4585 |
| logD: | 4.4489 |
| logSw: | -4.7322 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.428 |
| InChI Key: | PJVBMTDAHVNNFB-KRWDZBQOSA-N |