ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
Chemical Structure Depiction of
ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
Compound characteristics
| Compound ID: | 8013-2605 |
| Compound Name: | ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C22 H20 N2 O7 |
| Smiles: | CCOC(CC(c1ccc(C)cc1)NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6954 |
| logD: | 3.6948 |
| logSw: | -4.0128 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.744 |
| InChI Key: | ZJSMMNUIPOMDBP-SFHVURJKSA-N |