2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SC76-0569 |
| Compound Name: | 2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccccc2)C(N(CC(NCc2c(C)nn(C)c2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6882 |
| logD: | 2.6881 |
| logSw: | -2.9782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.131 |
| InChI Key: | IGYQSZXYIZUFBH-BKMJKUGQSA-N |