2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-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-[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-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SC76-0639 |
| Compound Name: | 2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C27 H29 F N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(NCCc2c(C)nn(C)c2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4065 |
| logD: | 2.4061 |
| logSw: | -2.8161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.973 |
| InChI Key: | MNVHGVFLONDUFW-YIXXDRMTSA-N |