1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S978-0158 |
| Compound Name: | 1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C24 H30 N2 O2 |
| Smiles: | C[C@H]1COc2ccc(CN3CCCC3)cc2CN1C(CCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1656 |
| logD: | 2.1041 |
| logSw: | -4.2206 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1851 |
| InChI Key: | ZRKQQOBJNIOUAU-IBGZPJMESA-N |