4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-4455 |
| Compound Name: | 4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-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)SCc1ccc(cc1)C(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8688 |
| logD: | 3.8682 |
| logSw: | -3.6287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.303 |
| InChI Key: | WPDJKQWZWIPETP-UHFFFAOYSA-N |