2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6294 |
| Compound Name: | 2-[4-(2,2-dimethylpropanoyl)-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: | CC(C)(C)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2046 |
| logD: | 0.5235 |
| logSw: | -2.7331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | WYVWTQWCXBNWCY-UHFFFAOYSA-N |