3-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
3-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
3-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V026-8916 |
| Compound Name: | 3-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C22 H31 N5 O S |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NC(C)C)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8964 |
| logD: | 3.3265 |
| logSw: | -3.8698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.807 |
| InChI Key: | ODRLOJMJGGXURY-UHFFFAOYSA-N |