6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V020-9902 |
| Compound Name: | 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 575.93 |
| Molecular Formula: | C27 H29 Cl3 N6 O2 |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1[Cl])[Cl])=O)C1NC(C=C(CN2CCN(CC2)c2ccccc2[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.021 |
| logD: | 3.039 |
| logSw: | -4.439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.842 |
| InChI Key: | IBONZQCMYJGRQD-UHFFFAOYSA-N |