4-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
4-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-6513 |
| Compound Name: | 4-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 547.76 |
| Molecular Formula: | C31 H41 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccc(cc2)OC)C(C)(C)C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7788 |
| logD: | 6.7782 |
| logSw: | -5.5757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.665 |
| InChI Key: | CNKNJVNJNUMTRA-UHFFFAOYSA-N |