rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Chemical Structure Depiction of
rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Compound characteristics
| Compound ID: | SC76-0610 |
| Compound Name: | rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C26 H30 F N3 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(N2CCN(CC2)C(C)C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0037 |
| logD: | 2.6708 |
| logSw: | -3.3203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.077 |
| InChI Key: | WVIULXVMXWELDP-ATIYNZHBSA-N |