3-chloro-N-{2-[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
3-chloro-N-{2-[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
3-chloro-N-{2-[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | V010-2886 |
| Compound Name: | 3-chloro-N-{2-[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-2,2-dimethyl-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 532.14 |
| Molecular Formula: | C30 H43 Cl F N3 O2 |
| Smiles: | CC(C)CCN(CC(N(Cc1cccn1Cc1ccc(cc1)F)C1CCCCC1)=O)C(C(C)(C)C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7571 |
| logD: | 6.7571 |
| logSw: | -5.6856 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.698 |
| InChI Key: | JMNNIUSZBAHDIP-UHFFFAOYSA-N |