6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V009-5746 |
| Compound Name: | 6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C28 H40 N6 O2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)Cc2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5176 |
| logD: | 0.7302 |
| logSw: | -2.7321 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.615 |
| InChI Key: | XBGPHWYQYIFIJS-UHFFFAOYSA-N |