rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Chemical Structure Depiction of
rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Compound characteristics
| Compound ID: | SC76-0617 |
| Compound Name: | rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C26 H29 F N2 O4 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(N2CCC(CC2)COC)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3087 |
| logD: | 3.3087 |
| logSw: | -3.5757 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.637 |
| InChI Key: | UWSYMJSQPPUQRE-ATIYNZHBSA-N |