4-(2-methylpropyl)-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-methylpropyl)-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(2-methylpropyl)-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3608 |
| Compound Name: | 4-(2-methylpropyl)-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 315.4 |
| Molecular Formula: | C14 H17 N7 S |
| Smiles: | CC(C)Cn1c(Cn2nc(c3ccccc3)nn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.2399 |
| logD: | 2.0319 |
| logSw: | -2.1869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.337 |
| InChI Key: | LJLZOEZTNRORNS-UHFFFAOYSA-N |