2-[(4-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(4-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-2,3-dihydro-1H-isoindol-1-one
2-[(4-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D757-0055 |
| Compound Name: | 2-[(4-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 466.02 |
| Molecular Formula: | C27 H32 Cl N3 O2 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1Cc2ccccc2C1=O)C(N1CCN(CC1)Cc1ccccc1[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 4.4665 |
| logD: | 4.4514 |
| logSw: | -4.6042 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.266 |
| InChI Key: | ZKJRAMKQAWTTHL-UHFFFAOYSA-N |