({6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
({6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | C598-0081 |
| Compound Name: | ({6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H20 N2 O5 S |
| Smiles: | C1CCc2c(C1)c(c1ccc(cc1n2)C(Nc1ccc2c(c1)OCO2)=O)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9662 |
| logD: | 0.3285 |
| logSw: | -4.2523 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.581 |
| InChI Key: | ATOTULNBLLDBIQ-UHFFFAOYSA-N |