2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SC76-0624 |
| Compound Name: | 2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C28 H31 F N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(N(C)CCc2c(C)nn(C)c2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7551 |
| logD: | 2.7548 |
| logSw: | -3.1139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.533 |
| InChI Key: | IEDPHQBUUWJNJD-UFHPHHKVSA-N |