6-{[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V020-9877 |
| Compound Name: | 6-{[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 517.07 |
| Molecular Formula: | C26 H37 Cl N6 O3 |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2cc(ccc2OC)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1168 |
| logD: | 1.8652 |
| logSw: | -3.4668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.885 |
| InChI Key: | SEQXQVFLIMXWOR-UHFFFAOYSA-N |