[(3S)-3-methyl-4-(pyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-4-(pyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-3-methyl-4-(pyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0387 |
| Compound Name: | [(3S)-3-methyl-4-(pyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1cccnc1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8941 |
| logD: | 1.8941 |
| logSw: | -1.9827 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.146 |
| InChI Key: | VLGZUNIUIREAKF-HNNXBMFYSA-N |