ethyl 4-[(isoquinolin-1-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(isoquinolin-1-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(isoquinolin-1-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8019-5984 |
| Compound Name: | ethyl 4-[(isoquinolin-1-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C15 H15 N O3 S |
| Smiles: | CCOC(CC(CSc1c2ccccc2ccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4713 |
| logD: | 2.4712 |
| logSw: | -2.5824 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.06 |
| InChI Key: | ILJFBGOLKIRTFB-UHFFFAOYSA-N |