2-[4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8018-3741 |
| Compound Name: | 2-[4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC(c1ccc(cc1)N1C(C2CCCCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5064 |
| logD: | 2.5064 |
| logSw: | -2.8881 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.607 |
| InChI Key: | RIGORQOSYOJSSX-UHFFFAOYSA-N |