4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V012-2186 |
| Compound Name: | 4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 457.64 |
| Molecular Formula: | C24 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCCOC)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7652 |
| logD: | 3.1952 |
| logSw: | -3.9095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.521 |
| InChI Key: | IPLMPLOYQPALOI-UHFFFAOYSA-N |