[(3S)-4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
[(3S)-4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | S979-0510 |
| Compound Name: | [(3S)-4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | Cc1cc(C(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCOCC2)=O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7667 |
| logD: | 0.7667 |
| logSw: | -1.6442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.493 |
| InChI Key: | PBCUVXUINKWGHI-OAHLLOKOSA-N |