3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V027-8570 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C)nc(n1)SCc1cccc(c1)C(NCCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9945 |
| logD: | 2.9942 |
| logSw: | -3.3568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.976 |
| InChI Key: | ZYILZWVKZSORJJ-UHFFFAOYSA-N |