5-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
5-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-5172 |
| Compound Name: | 5-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 347.4 |
| Molecular Formula: | C14 H17 N7 O2 S |
| Smiles: | CCn1c(Cn2nc(c3ccc(c(c3)OC)OC)nn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.0746 |
| logD: | 0.8638 |
| logSw: | -2.0454 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.323 |
| InChI Key: | KIUMVURJWVDBOK-UHFFFAOYSA-N |