4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-9603 |
| Compound Name: | 4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 512.72 |
| Molecular Formula: | C27 H40 N6 O2 S |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCCN1CCOCC1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3447 |
| logD: | 2.7747 |
| logSw: | -3.5253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.799 |
| InChI Key: | DMEAFTYVJDCUMK-UHFFFAOYSA-N |