1-(2-aminophenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-aminophenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-aminophenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8018-0719 |
| Compound Name: | 1-(2-aminophenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC(c1ccccc1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3096 |
| logD: | 2.3095 |
| logSw: | -2.7933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.869 |
| InChI Key: | MZIXAYXCGMHOMR-UHFFFAOYSA-N |