N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-7412 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9043 |
| logD: | 3.7141 |
| logSw: | -4.0799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.485 |
| InChI Key: | HFNPTBMARVDUGN-UHFFFAOYSA-N |