3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-1752 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 518.68 |
| Molecular Formula: | C28 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1cccc(c1)C(NCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4786 |
| logD: | 4.4778 |
| logSw: | -4.2939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.328 |
| InChI Key: | PGALJWJALKHZTM-UHFFFAOYSA-N |