N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-3446 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCN(C)c1cc(C(C)C)nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5682 |
| logD: | 5.5625 |
| logSw: | -5.364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.457 |
| InChI Key: | NLWTZBNVSDIMJL-UHFFFAOYSA-N |