2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
Chemical Structure Depiction of
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
Compound characteristics
| Compound ID: | 6026-0099 |
| Compound Name: | 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C21 H17 N3 O S |
| Smiles: | C(c1ccccc1)Sc1nnc(c2ccccc2O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0074 |
| logD: | 4.7457 |
| logSw: | -4.0498 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.261 |
| InChI Key: | BVEILHPWLHANJZ-UHFFFAOYSA-N |