N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | V013-6110 |
| Compound Name: | N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 514.15 |
| Molecular Formula: | C30 H44 Cl N3 O2 |
| Smiles: | CC(C)CCN(CC(N(Cc1cccn1Cc1ccccc1[Cl])C1CCCCC1)=O)C(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0472 |
| logD: | 7.0472 |
| logSw: | -6.2297 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.698 |
| InChI Key: | JMYVNOZKLUZYJO-UHFFFAOYSA-N |