2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0032 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1051 |
| logD: | 5.1051 |
| logSw: | -5.709 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.691 |
| InChI Key: | MZUNWXATXNOQIE-UHFFFAOYSA-N |