N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-3175 |
| Compound Name: | N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C18 H15 N3 O4 S |
| Smiles: | COc1ccccc1Cc1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.823 |
| logD: | 3.7719 |
| logSw: | -4.0589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.844 |
| InChI Key: | RITKPTQBLKTQQP-UHFFFAOYSA-N |