[(3S)-3-methyl-4-(5-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-4-(5-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-3-methyl-4-(5-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0365 |
| Compound Name: | [(3S)-3-methyl-4-(5-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | Cc1cc(cnc1)C(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4428 |
| logD: | 2.4425 |
| logSw: | -2.4777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.236 |
| InChI Key: | HWUXFMMTWLMFHJ-INIZCTEOSA-N |