N-[3-(methylsulfanyl)phenyl]-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-[3-(methylsulfanyl)phenyl]-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-0857 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C23 H25 N5 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1nccc(n1)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9154 |
| logD: | 4.9154 |
| logSw: | -4.6098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.018 |
| InChI Key: | XXUWXKWVIKQFAX-UHFFFAOYSA-N |