6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V019-1706 |
| Compound Name: | 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C25 H35 Cl N6 O2 |
| Smiles: | CCCCC(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9 |
| logD: | 1.918 |
| logSw: | -3.4496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.586 |
| InChI Key: | ZHBXIDKEMRJYLO-UHFFFAOYSA-N |