3-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
Chemical Structure Depiction of
3-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
3-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
Compound characteristics
| Compound ID: | 8016-1935 |
| Compound Name: | 3-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SC1CCOC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4718 |
| logD: | 3.4713 |
| logSw: | -3.7057 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.602 |
| InChI Key: | CANSPUVUNSFCCH-INIZCTEOSA-N |