methyl [(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
methyl [(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2595-0250 |
| Compound Name: | methyl [(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | COC(CSc1nc(c2ccccc2)c(c2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0429 |
| logD: | 3.0429 |
| logSw: | -3.1259 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.236 |
| InChI Key: | LAXCWLNXXWPYHF-UHFFFAOYSA-N |