N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G605-0953 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 519.55 |
| Molecular Formula: | C22 H21 N3 O8 S2 |
| Smiles: | COc1ccc(cc1OC)S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4615 |
| logD: | -1.1803 |
| logSw: | -2.5119 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.224 |
| InChI Key: | BEOBANHSRGPENT-UHFFFAOYSA-N |