N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide
Compound characteristics
| Compound ID: | L150-0962 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H17 Br N4 O S |
| Smiles: | CCc1ccc(cc1)C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5279 |
| logD: | 4.5279 |
| logSw: | -4.2668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | YEZREUAODCZGQG-UHFFFAOYSA-N |