methyl N-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}glycinate
Chemical Structure Depiction of
methyl N-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}glycinate
methyl N-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}glycinate
Compound characteristics
| Compound ID: | D419-0058 |
| Compound Name: | methyl N-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}glycinate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | COC(CNC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5397 |
| logD: | 2.5397 |
| logSw: | -2.66 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.034 |
| InChI Key: | WIACRBXCVILWHI-UHFFFAOYSA-N |