[(3S)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
[(3S)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | S979-0509 |
| Compound Name: | [(3S)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C21 H25 N3 O5 |
| Smiles: | Cc1c(C(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCOCC2)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.2587 |
| logD: | 1.2587 |
| logSw: | -2.1044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.209 |
| InChI Key: | KDJKPAMCHGLQNU-CYBMUJFWSA-N |