2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V017-8941 |
| Compound Name: | 2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 499.1 |
| Molecular Formula: | C27 H39 Cl N6 O |
| Smiles: | C1CCC(CC1)N1CCN(CC1)CC1=CC(NC(=N1)N1CCCN(CC1)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4203 |
| logD: | 2.0137 |
| logSw: | -3.7094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.06 |
| InChI Key: | YIWQEZQJQIXAQX-UHFFFAOYSA-N |