2-(4-pentanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-pentanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-(4-pentanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V013-8253 |
| Compound Name: | 2-(4-pentanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C27 H40 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCC(N1CCCN(CC1)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1628 |
| logD: | 0.4817 |
| logSw: | -2.7177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | BKCIXKODTHICNZ-UHFFFAOYSA-N |