2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6328 |
| Compound Name: | 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C29 H42 N6 O2 |
| Smiles: | C1CCC(CC1)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.774 |
| logD: | 1.0928 |
| logSw: | -3.1886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.593 |
| InChI Key: | GHVOYMHBCQUWSQ-UHFFFAOYSA-N |