rel-(1aR,7bR)-1a-(hydroxymethyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Chemical Structure Depiction of
rel-(1aR,7bR)-1a-(hydroxymethyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
rel-(1aR,7bR)-1a-(hydroxymethyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Compound characteristics
| Compound ID: | SC76-0062 |
| Compound Name: | rel-(1aR,7bR)-1a-(hydroxymethyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | [H][C@]12C[C@]2(CO)C(N(CC(N2CCN(CC2)c2ccccc2OC)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.757 |
| logD: | 1.7566 |
| logSw: | -2.0044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.69 |
| InChI Key: | PSYQTWTVVVGPPH-MHECFPHRSA-N |