methyl 2-{2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C509-2018 |
| Compound Name: | methyl 2-{2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C23 H21 Cl N2 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c2CCCCc2nc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3635 |
| logD: | 4.9126 |
| logSw: | -5.8138 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.344 |
| InChI Key: | NEDRSTUHKIWSCK-UHFFFAOYSA-N |