4-{[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetyl}-1lambda~6~-thiomorpholine-1,1-dione
Chemical Structure Depiction of
4-{[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetyl}-1lambda~6~-thiomorpholine-1,1-dione
4-{[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetyl}-1lambda~6~-thiomorpholine-1,1-dione
Compound characteristics
| Compound ID: | SC76-0564 |
| Compound Name: | 4-{[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetyl}-1lambda~6~-thiomorpholine-1,1-dione |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | [H][C@]12C[C@]2(COc2ccccc2)C(N(CC(N2CCS(CC2)(=O)=O)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.855 |
| logD: | 0.855 |
| logSw: | -1.9606 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.284 |
| InChI Key: | FKMXUCAOKZRONK-WMZHIEFXSA-N |