N-ethyl-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Chemical Structure Depiction of
N-ethyl-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
N-ethyl-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Compound characteristics
| Compound ID: | SC76-0628 |
| Compound Name: | N-ethyl-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}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(CC)Cc2cnn(CC)c2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3924 |
| logD: | 3.3924 |
| logSw: | -3.4518 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.425 |
| InChI Key: | NECOECVJESFXID-UFHPHHKVSA-N |