N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
Compound characteristics
| Compound ID: | SC76-0541 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccccc2)C(N(CC(NCc2cc(C)nn2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4509 |
| logD: | 2.4509 |
| logSw: | -2.8662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.095 |
| InChI Key: | CQXBFOFWIGRRNY-SQJMNOBHSA-N |