2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6322 |
| Compound Name: | 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H30 F2 N6 O2 |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1)F)=O)C1NC(C=C(CN2CCN(CC2)c2ccccc2F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4197 |
| logD: | 1.2955 |
| logSw: | -2.9171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.842 |
| InChI Key: | KFLORBBOFPMRPB-UHFFFAOYSA-N |