N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | M070-0167 |
| Compound Name: | N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C17 H16 N2 O4 S3 |
| Smiles: | CCSc1nc2ccc(cc2s1)NS(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5754 |
| logD: | 3.5707 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | PITNQYSGSLZUTM-UHFFFAOYSA-N |