methyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V009-4393 |
| Compound Name: | methyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9267 |
| logD: | 3.9267 |
| logSw: | -4.1631 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.539 |
| InChI Key: | SDHDJVVHVUYUQE-LBPRGKRZSA-N |