1-{2-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
Chemical Structure Depiction of
1-{2-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
1-{2-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | SC09-0028 |
| Compound Name: | 1-{2-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C24 H24 F N3 O3 |
| Smiles: | CC1=CC(C)=NC(N1CC(N1Cc2cc(ccc2OC[C@@H]1C)c1ccc(cc1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1408 |
| logD: | 4.1407 |
| logSw: | -4.3888 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.28 |
| InChI Key: | ICQYEDSCQOZNNJ-QGZVFWFLSA-N |