2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-[(4-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-[(4-chlorophenyl)methyl]acetamide
2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-[(4-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | SC76-0747 |
| Compound Name: | 2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-[(4-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C27 H25 Cl N2 O3 |
| Smiles: | [H][C@]12C[C@]2(COCc2ccccc2)C(N(CC(NCc2ccc(cc2)[Cl])=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5405 |
| logD: | 4.5404 |
| logSw: | -4.8486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.227 |
| InChI Key: | AQTNLZPJLLLBNC-WNCULLNHSA-N |