methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | Y040-7391 |
| Compound Name: | methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 369.33 |
| Molecular Formula: | C19 H15 N O7 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8881 |
| logD: | 2.8881 |
| logSw: | -3.5894 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.719 |
| InChI Key: | BHAKCDFPPMVMTL-NSHDSACASA-N |