2-(4-hexanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-hexanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-(4-hexanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6348 |
| Compound Name: | 2-(4-hexanoyl-1,4-diazepan-1-yl)-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 494.68 |
| Molecular Formula: | C28 H42 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCCC(N1CCCN(CC1)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7172 |
| logD: | 1.0361 |
| logSw: | -3.0188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | LUEHKEGGZCDRJL-UHFFFAOYSA-N |