2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S979-0378 |
| Compound Name: | 2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4737 |
| logD: | 3.4737 |
| logSw: | -3.496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.6 |
| InChI Key: | ZZWMCXUTJWLZBK-GOSISDBHSA-N |