3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-3817 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 552.7 |
| Molecular Formula: | C31 H32 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(c2ccccc2)nc(n1)SCc1cccc(c1)C(NCCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7395 |
| logD: | 4.7392 |
| logSw: | -4.5001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.898 |
| InChI Key: | WKVHBBDSJRGXEE-UHFFFAOYSA-N |