1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S979-0375 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(CCc1ccccc1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7028 |
| logD: | 3.7028 |
| logSw: | -3.9365 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.101 |
| InChI Key: | AVWGCBNPRCLANG-GOSISDBHSA-N |