[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](oxan-4-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](oxan-4-yl)methanone
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](oxan-4-yl)methanone
Compound characteristics
| Compound ID: | S978-0130 |
| Compound Name: | [(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](oxan-4-yl)methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(CN3CCCC3)cc2CN1C(C1CCOCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7031 |
| logD: | 0.6416 |
| logSw: | -2.822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.813 |
| InChI Key: | IQUNDSAPRGRDMI-INIZCTEOSA-N |