2-{4-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
2-{4-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D278-1214 |
| Compound Name: | 2-{4-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCCCCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4432 |
| logD: | 4.4432 |
| logSw: | -4.1955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.585 |
| InChI Key: | PCLWQFCXGGOVAH-UHFFFAOYSA-N |