2-methoxy-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-methoxy-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-methoxy-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S979-0313 |
| Compound Name: | 2-methoxy-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C18 H24 N2 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(COC)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3665 |
| logD: | 1.3665 |
| logSw: | -2.0215 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.796 |
| InChI Key: | NITZUBITBCSSNC-CYBMUJFWSA-N |