2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{2-[cyclohexyl(methyl)amino]ethyl}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-{2-[cyclohexyl(methyl)amino]ethyl}acetamide
2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{2-[cyclohexyl(methyl)amino]ethyl}acetamide
Compound characteristics
| Compound ID: | SC76-0805 |
| Compound Name: | 2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{2-[cyclohexyl(methyl)amino]ethyl}acetamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C29 H37 N3 O3 |
| Smiles: | [H][C@]12C[C@]2(COCc2ccccc2)C(N(CC(NCCN(C)C2CCCCC2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7077 |
| logD: | 2.2666 |
| logSw: | -3.7784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.106 |
| InChI Key: | JRCOUGOSZRJZRE-ABYGYWHVSA-N |