2-{[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8006-4943 |
| Compound Name: | 2-{[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C17 H12 N4 O2 S |
| Smiles: | C(N1C(c2ccccc2C1=O)=O)Sc1nc(c2ccccc2)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1438 |
| logD: | 2.6076 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.127 |
| InChI Key: | RVOXVGUTTAFSSQ-UHFFFAOYSA-N |