N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V013-6976 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2cccs2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8616 |
| logD: | 5.8616 |
| logSw: | -5.5539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.414 |
| InChI Key: | PTKYBZJFEDGYDF-UHFFFAOYSA-N |