N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-ethylbenzene-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-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G605-1037 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C22 H21 N3 O6 S2 |
| Smiles: | CCc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9217 |
| logD: | 0.28 |
| logSw: | -2.8864 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.963 |
| InChI Key: | VXOMXPMKNGFLAB-UHFFFAOYSA-N |