{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}acetic acid
{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y205-5602 |
| Compound Name: | {[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}acetic acid |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C13 H15 N O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4478 |
| logD: | -1.9207 |
| logSw: | -1.9729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.677 |
| InChI Key: | OMMUNSFMMQMSJJ-UHFFFAOYSA-N |