N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | M070-1153 |
| Compound Name: | N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 422.54 |
| Molecular Formula: | C18 H18 N2 O4 S3 |
| Smiles: | CC(C)Sc1nc2ccc(cc2s1)NS(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9781 |
| logD: | 3.9734 |
| logSw: | -4.0698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | CTUKWHQQVUXUDA-UHFFFAOYSA-N |