ethyl 3-{6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-7885 |
| Compound Name: | ethyl 3-{6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 445.86 |
| Molecular Formula: | C22 H20 Cl N O7 |
| Smiles: | CCOC(CCC1=C(C)c2cc(c(cc2OC1=O)OCc1ccc(cc1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3731 |
| logD: | 5.3731 |
| logSw: | -5.9989 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.015 |
| InChI Key: | CAGNVRCBQRMAHG-UHFFFAOYSA-N |