3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-4605 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 483.68 |
| Molecular Formula: | C26 H37 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(cc(n2)N2CCN(CC2)C(C)=O)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9737 |
| logD: | 4.9731 |
| logSw: | -4.6613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.056 |
| InChI Key: | JSMAWTMHTMTRNE-UHFFFAOYSA-N |