2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V018-5401 |
| Compound Name: | 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C27 H37 F N6 O2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.015 |
| logD: | 1.8908 |
| logSw: | -3.2887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.034 |
| InChI Key: | MVRDOJUSVMYOTH-UHFFFAOYSA-N |