N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-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-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-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: | SC76-0572 |
| Compound Name: | N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C29 H34 N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccccc2)C(N(CC(N(C)CCc2c(C)nn(CC)c2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2362 |
| logD: | 3.2356 |
| logSw: | -3.4909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.972 |
| InChI Key: | IOUGGWCKBBSFSS-ABYGYWHVSA-N |