6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V019-1742 |
| Compound Name: | 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-(4-pentanoyl-1,4-diazepan-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C25 H35 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCC(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4039 |
| logD: | 1.2797 |
| logSw: | -2.9172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.586 |
| InChI Key: | WKTPJOYGQSVEQE-UHFFFAOYSA-N |