N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | F938-0427 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 409.32 |
| Molecular Formula: | C15 H13 Br N4 O S2 |
| Smiles: | Cc1ccsc1C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7965 |
| logD: | 3.7965 |
| logSw: | -3.9273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.004 |
| InChI Key: | RDXKPKKJMRZTQB-UHFFFAOYSA-N |