N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 3202-0090 |
| Compound Name: | N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5478 |
| logD: | 5.5471 |
| logSw: | -5.4454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.718 |
| InChI Key: | PKRZKZUFLFSPHV-UHFFFAOYSA-N |