3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V029-5256 |
| Compound Name: | 3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C23 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(C)c(C)nc(n1)SCc1cccc(c1)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8904 |
| logD: | 2.565 |
| logSw: | -3.849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.418 |
| InChI Key: | XYKKQJQNFYHJJS-UHFFFAOYSA-N |