N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-9462 |
| Compound Name: | N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | C(Cc1nnc(NC(c2ccc3c(c2)OCO3)=O)s1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.186 |
| logD: | 4.0029 |
| logSw: | -4.4679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.214 |
| InChI Key: | AJVGQAHNVGPBJD-UHFFFAOYSA-N |