1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
Compound characteristics
| Compound ID: | D216-0206 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine |
| Molecular Weight: | 413.53 |
| Molecular Formula: | C16 H19 N3 O4 S3 |
| Smiles: | Cc1nnc(SC2CCN(CC2)S(c2ccc3c(c2)OCCO3)(=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0245 |
| logD: | 2.0245 |
| logSw: | -2.6193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.173 |
| InChI Key: | TXWUNBYOKPUDND-UHFFFAOYSA-N |