ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V013-7794 |
| Compound Name: | ethyl 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3272 |
| logD: | 5.3272 |
| logSw: | -5.3172 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.119 |
| InChI Key: | SFPXRBVSDYAVJE-SFHVURJKSA-N |