N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C716-0836 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C21 H19 N3 O6 S2 |
| Smiles: | Cc1ccc(c(C)c1)S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6916 |
| logD: | 1.0499 |
| logSw: | -3.0566 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.256 |
| InChI Key: | PVIAZTMUGZEEQN-UHFFFAOYSA-N |