N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-3170 |
| Compound Name: | N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C14 H15 N3 O3 S2 |
| Smiles: | CCC(C)Sc1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2746 |
| logD: | 4.2642 |
| logSw: | -4.2426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.351 |
| InChI Key: | JLHJUHZEHBDKOH-QMMMGPOBSA-N |