2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)pyrimidin-4(3H)-one
2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6331 |
| Compound Name: | 2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 555.51 |
| Molecular Formula: | C28 H32 Cl2 N6 O2 |
| Smiles: | C1CN(CCN(C1)C(c1ccccc1[Cl])=O)C1NC(C=C(CN2CCN(CC2)Cc2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9019 |
| logD: | 1.1145 |
| logSw: | -3.7925 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.423 |
| InChI Key: | JHUASBPWCLVCTA-UHFFFAOYSA-N |