ethyl ({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8016-6703 |
| Compound Name: | ethyl ({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 359.41 |
| Molecular Formula: | C15 H17 N7 O2 S |
| Smiles: | CCOC(CSc1nnc(Cn2nc(c3ccccc3)nn2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4148 |
| logD: | 1.4061 |
| logSw: | -2.1933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.832 |
| InChI Key: | WNWIFQURABJIGF-UHFFFAOYSA-N |