2-[(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(3,4-dimethoxyphenyl)-2H-tetrazole
Chemical Structure Depiction of
2-[(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(3,4-dimethoxyphenyl)-2H-tetrazole
2-[(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(3,4-dimethoxyphenyl)-2H-tetrazole
Compound characteristics
| Compound ID: | 8018-9555 |
| Compound Name: | 2-[(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(3,4-dimethoxyphenyl)-2H-tetrazole |
| Molecular Weight: | 471.97 |
| Molecular Formula: | C21 H22 Cl N7 O2 S |
| Smiles: | CCn1c(Cn2nc(c3ccc(c(c3)OC)OC)nn2)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8032 |
| logD: | 3.7987 |
| logSw: | -4.2893 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.577 |
| InChI Key: | UKXNLRHDOBBCDC-UHFFFAOYSA-N |