[(3S)-4-(cyclohexanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(cyclohexanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(cyclohexanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0309 |
| Compound Name: | [(3S)-4-(cyclohexanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C22 H30 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(C1CCCCC1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5861 |
| logD: | 3.5861 |
| logSw: | -3.576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.82 |
| InChI Key: | VYCSPJCCPQEIRT-MRXNPFEDSA-N |