2-(4-bromophenyl)-2-oxoethyl N-(4-methylcyclohexane-1-carbonyl)valinate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl N-(4-methylcyclohexane-1-carbonyl)valinate
2-(4-bromophenyl)-2-oxoethyl N-(4-methylcyclohexane-1-carbonyl)valinate
Compound characteristics
| Compound ID: | 8014-3349 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl N-(4-methylcyclohexane-1-carbonyl)valinate |
| Molecular Weight: | 438.36 |
| Molecular Formula: | C21 H28 Br N O4 |
| Smiles: | CC1CCC(CC1)C(NC(C(C)C)C(=O)OCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.37 |
| logD: | 5.37 |
| logSw: | -5.4724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.572 |
| InChI Key: | PKHIEEYUXNXRHP-KJXMEXGPSA-N |