4-{[(isoquinolin-1-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
Chemical Structure Depiction of
4-{[(isoquinolin-1-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
4-{[(isoquinolin-1-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
Compound characteristics
| Compound ID: | 8019-6012 |
| Compound Name: | 4-{[(isoquinolin-1-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C14 H11 N O3 S |
| Smiles: | CC1=C(CSc2c3ccccc3ccn2)OC(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.3942 |
| logD: | 2.3937 |
| logSw: | -2.6846 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.293 |
| InChI Key: | FUIIHUHPFDOKLU-UHFFFAOYSA-N |