5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole
5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6529-0220 |
| Compound Name: | 5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | CCS(n1c(nc(c2ccc(cc2)OC)n1)SCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7245 |
| logD: | 3.7245 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.111 |
| InChI Key: | DRTNVFKJNOAEOM-UHFFFAOYSA-N |