N-(4-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0333 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C22 H18 Br N5 O S |
| Smiles: | C=CCn1c(c2ccc3ccccc3n2)nnc1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1246 |
| logD: | 5.1245 |
| logSw: | -5.9557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.699 |
| InChI Key: | AAHPLGFZFAEHFD-UHFFFAOYSA-N |