2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | E682-0094 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C22 H22 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1C)S(c1cnc(nc1N)SCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5647 |
| logD: | 2.5647 |
| logSw: | -2.9375 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.952 |
| InChI Key: | GFOUSWXGGQMRBM-UHFFFAOYSA-N |