rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-[2-(4-methyl-1,4-diazepan-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-methyl-1,4-diazepan-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-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
Compound characteristics
| Compound ID: | SC76-0602 |
| Compound Name: | rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C25 H28 F N3 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(N2CCCN(C)CC2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3818 |
| logD: | 1.2166 |
| logSw: | -2.7072 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.02 |
| InChI Key: | WSIASTNHIAOXQO-PXDATVDWSA-N |