4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-3799 |
| Compound Name: | 4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 455.67 |
| Molecular Formula: | C25 H37 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(cc(n2)N2CCN(C)CC2)C(C)(C)C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8576 |
| logD: | 4.2877 |
| logSw: | -4.512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.338 |
| InChI Key: | YFEJSPCWEZWBMH-UHFFFAOYSA-N |