N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-7039 |
| Compound Name: | N-{5-[(4-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: | COc1ccc(Cc2nnc(NC(c3ccc4c(c3)OCO4)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6413 |
| logD: | 3.5901 |
| logSw: | -4.0752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.757 |
| InChI Key: | LNFYXEOGYLNUIP-UHFFFAOYSA-N |