N-(3-chlorophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-0888 |
| Compound Name: | N-(3-chlorophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.97 |
| Molecular Formula: | C22 H22 Cl N5 O S |
| Smiles: | C1CN(CCN1c1ccccc1)c1ccnc(n1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.208 |
| logD: | 5.2079 |
| logSw: | -5.6402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.018 |
| InChI Key: | TXWXQHHHYAIFAC-UHFFFAOYSA-N |