2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | C716-0664 |
| Compound Name: | 2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 523.97 |
| Molecular Formula: | C21 H18 Cl N3 O7 S2 |
| Smiles: | COc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1317 |
| logD: | -0.5101 |
| logSw: | -2.8734 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.594 |
| InChI Key: | WTHDJUMHAARKBF-UHFFFAOYSA-N |