3-methyl-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S978-0118 |
| Compound Name: | 3-methyl-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C20 H30 N2 O2 |
| Smiles: | CC(C)CC(N1Cc2cc(CN3CCCC3)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4773 |
| logD: | 1.4158 |
| logSw: | -3.4798 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4566 |
| InChI Key: | KIJZIXXQCLFFFZ-INIZCTEOSA-N |