6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | V018-7610 |
Compound Name: | 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
Molecular Weight: | 456.56 |
Molecular Formula: | C24 H33 F N6 O2 |
Salt: | not_available |
Smiles: | CC(C)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2F)N=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0419 |
logD: | 0.9176 |
logSw: | -2.7643 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.113 |
InChI Key: | REFCYOBHUGZJRZ-UHFFFAOYSA-N |