2-(4-{[2-(4-nonanoylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]methyl}piperazin-1-yl)benzonitrile
Chemical Structure Depiction of
2-(4-{[2-(4-nonanoylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]methyl}piperazin-1-yl)benzonitrile
2-(4-{[2-(4-nonanoylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]methyl}piperazin-1-yl)benzonitrile
Compound characteristics
| Compound ID: | V008-4455 |
| Compound Name: | 2-(4-{[2-(4-nonanoylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]methyl}piperazin-1-yl)benzonitrile |
| Molecular Weight: | 519.69 |
| Molecular Formula: | C29 H41 N7 O2 |
| Salt: | not_available |
| Smiles: | CCCCCCCCC(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2C#N)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7653 |
| logD: | 2.7322 |
| logSw: | -3.9513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.311 |
| InChI Key: | VOHTZLCWRAAGMW-UHFFFAOYSA-N |