N-(2H-1,3-benzodioxol-5-yl)-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)-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G605-0146 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.94 |
| Molecular Formula: | C20 H16 Cl N3 O6 S2 |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8718 |
| logD: | 1.2301 |
| logSw: | -3.4974 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.256 |
| InChI Key: | DKFLETZMVVFBEE-UHFFFAOYSA-N |