4-({[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-({[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
4-({[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V010-6387 |
| Compound Name: | 4-({[4,5-dimethyl-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: | CC(C)NC(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2538 |
| logD: | 2.0735 |
| logSw: | -3.4672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.358 |
| InChI Key: | HEKWKXDIFCYDLI-UHFFFAOYSA-N |