(4-benzylpiperazin-1-yl)[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]methanone
Chemical Structure Depiction of
(4-benzylpiperazin-1-yl)[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]methanone
(4-benzylpiperazin-1-yl)[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]methanone
Compound characteristics
| Compound ID: | D054-0033 |
| Compound Name: | (4-benzylpiperazin-1-yl)[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]methanone |
| Molecular Weight: | 362.88 |
| Molecular Formula: | C17 H19 Cl N4 O S |
| Smiles: | CSc1ncc(c(C(N2CCN(CC2)Cc2ccccc2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8068 |
| logD: | 2.7912 |
| logSw: | -3.267 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.013 |
| InChI Key: | FQJXQNUIKXSRQO-UHFFFAOYSA-N |