2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6321 |
| Compound Name: | 2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-cyclohexylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 513.08 |
| Molecular Formula: | C27 H37 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N1CCN(CC1)CC1=CC(NC(=N1)N1CCCN(CC1)C(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6479 |
| logD: | 1.2413 |
| logSw: | -3.7475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.976 |
| InChI Key: | KMTZNNFRQUWNES-UHFFFAOYSA-N |