methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C598-0644 |
| Compound Name: | methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C23 H19 Cl N2 O5 |
| Smiles: | COC(c1cc2c(cc1NC(c1ccc3c(c4CCCCc4nc3c1)[Cl])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3451 |
| logD: | 3.8599 |
| logSw: | -5.9194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.673 |
| InChI Key: | DIOPDJAPPRTEFT-UHFFFAOYSA-N |