N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-0520 |
| Compound Name: | N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C13 H13 N3 O4 S2 |
| Smiles: | COCCSc1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5711 |
| logD: | 2.5607 |
| logSw: | -3.1395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.693 |
| InChI Key: | AWQMDMUUXYJKJJ-UHFFFAOYSA-N |