N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)butanamide
Chemical Structure Depiction of
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)butanamide
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)butanamide
Compound characteristics
| Compound ID: | F938-0383 |
| Compound Name: | N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)butanamide |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C20 H21 Br N4 O S |
| Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5683 |
| logD: | 4.5683 |
| logSw: | -4.3132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.465 |
| InChI Key: | OCVRIBLIDSCPAH-UHFFFAOYSA-N |