{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-3410 |
| Compound Name: | {4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 489.68 |
| Molecular Formula: | C28 H35 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(C)CC1)=O)N(C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7887 |
| logD: | 4.658 |
| logSw: | -4.602 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.803 |
| InChI Key: | SQISAVPNZLIPQS-UHFFFAOYSA-N |