N-(3-nitrophenyl)-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-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0339 |
| Compound Name: | N-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H18 N6 O3 S |
| Smiles: | C=CCn1c(c2ccc3ccccc3n2)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3585 |
| logD: | 4.3577 |
| logSw: | -4.6623 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.081 |
| InChI Key: | ASLJZALRPNDJIP-UHFFFAOYSA-N |