2-[4-({2-[4-(4-butylbenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Chemical Structure Depiction of
2-[4-({2-[4-(4-butylbenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
2-[4-({2-[4-(4-butylbenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | V001-3086 |
| Compound Name: | 2-[4-({2-[4-(4-butylbenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C31 H37 N7 O2 |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2C#N)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6791 |
| logD: | 2.6461 |
| logSw: | -3.9081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.567 |
| InChI Key: | VWVHBLOCPNNYBV-UHFFFAOYSA-N |