ethyl ({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8016-3363 |
| Compound Name: | ethyl ({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C16 H19 N7 O2 S |
| Smiles: | CCn1c(Cn2nc(c3ccccc3)nn2)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0293 |
| logD: | 2.0017 |
| logSw: | -2.266 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.747 |
| InChI Key: | BDLLCYJJOCIFOB-UHFFFAOYSA-N |