[(3S)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0330 |
| Compound Name: | [(3S)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C23 H25 F N2 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1ccc(c(c1)F)OC)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2132 |
| logD: | 3.2132 |
| logSw: | -3.3221 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.259 |
| InChI Key: | GYMBWKGPRBWXDK-HNNXBMFYSA-N |