N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G605-0170 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 507.97 |
| Molecular Formula: | C21 H18 Cl N3 O6 S2 |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6331 |
| logD: | 0.9914 |
| logSw: | -3.4758 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.578 |
| InChI Key: | PBNRMJIDASWYNU-UHFFFAOYSA-N |