ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V012-8537 |
| Compound Name: | ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3678 |
| logD: | 4.3677 |
| logSw: | -4.303 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.119 |
| InChI Key: | STPJQLHPOVRICY-ZDUSSCGKSA-N |