3-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Chemical Structure Depiction of
3-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
3-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Compound characteristics
| Compound ID: | V020-4059 |
| Compound Name: | 3-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C23 H33 N5 O S |
| Smiles: | CCNC(c1cccc(CSc2nc(cc(n2)N2CCN(C)CC2)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2035 |
| logD: | 3.6335 |
| logSw: | -4.1665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.963 |
| InChI Key: | JHUGSUHBGLJCHB-UHFFFAOYSA-N |