3-(benzylsulfanyl)-4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-6123 |
| Compound Name: | 3-(benzylsulfanyl)-4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(cc1)OC)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0768 |
| logD: | 5.0768 |
| logSw: | -4.8309 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.8 |
| InChI Key: | IAQRPJNYCOACGC-UHFFFAOYSA-N |