3-chloro-2,2-dimethyl-1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-chloro-2,2-dimethyl-1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)propan-1-one
3-chloro-2,2-dimethyl-1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | V005-3001 |
| Compound Name: | 3-chloro-2,2-dimethyl-1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)propan-1-one |
| Molecular Weight: | 477.05 |
| Molecular Formula: | C28 H33 Cl N4 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cc2c(C)nc(c3ccccc3)nc2N2CCN(CC2)C(C(C)(C)C[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.2976 |
| logD: | 7.2225 |
| logSw: | -5.7962 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.957 |
| InChI Key: | SQJFWRQKLYIDGF-UHFFFAOYSA-N |