N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | F938-0370 |
| Compound Name: | N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C21 H17 Br N4 O S2 |
| Smiles: | C(Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1cccs1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3239 |
| logD: | 5.3239 |
| logSw: | -5.5238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.425 |
| InChI Key: | QRWKZUKKSLLRJJ-UHFFFAOYSA-N |