N-{4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
N-{4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V003-4701 |
| Compound Name: | N-{4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2cccs2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3644 |
| logD: | 6.3643 |
| logSw: | -5.5695 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.299 |
| InChI Key: | YBKJBQPHQGTIHC-UHFFFAOYSA-N |