N-{2-[2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{2-[2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{2-[2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | G856-5090 |
| Compound Name: | N-{2-[2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C22 H22 N4 O6 S2 |
| Smiles: | COc1ccc(cc1OC)c1nc2n(c(CCNS(c3ccc4c(c3)OCCO4)(=O)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5327 |
| logD: | 2.5323 |
| logSw: | -2.9507 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.127 |
| InChI Key: | KIZGGKRMPHINPS-UHFFFAOYSA-N |