3-(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N,N-dimethylpropanamide
3-(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1200 |
| Compound Name: | 3-(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N,N-dimethylpropanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C24 H27 F N4 O2 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)Cc2c[nH]nc2c2ccc(cc2)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9337 |
| logD: | 0.3874 |
| logSw: | -3.3335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.578 |
| InChI Key: | LJGALYCPFXPMQD-UHFFFAOYSA-N |