methyl 1-{6-bromo-3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl}cyclohexane-1-carboxylate
Chemical Structure Depiction of
methyl 1-{6-bromo-3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl}cyclohexane-1-carboxylate
methyl 1-{6-bromo-3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl}cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | 8016-1737 |
| Compound Name: | methyl 1-{6-bromo-3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl}cyclohexane-1-carboxylate |
| Molecular Weight: | 500.39 |
| Molecular Formula: | C25 H26 Br N O5 |
| Smiles: | Cc1ccc(cc1)NC(C1C(c2cc(ccc2OC1=O)[Br])C1(CCCCC1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9676 |
| logD: | 4.9365 |
| logSw: | -4.6955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.346 |
| InChI Key: | IPYNTEYSDJYJDG-UHFFFAOYSA-N |