6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-4585 |
| Compound Name: | 6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C22 H30 Cl N5 O2 |
| Smiles: | CC(C)(C[Cl])C(N1CCN(CC1)C1NC(C=C(CN(C)Cc2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4106 |
| logD: | -0.1058 |
| logSw: | -2.8861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.935 |
| InChI Key: | OSGDKZWKLIPMRX-UHFFFAOYSA-N |