(3-methylphenyl){7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
Chemical Structure Depiction of
(3-methylphenyl){7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
(3-methylphenyl){7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
Compound characteristics
| Compound ID: | T634-0164 |
| Compound Name: | (3-methylphenyl){7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone |
| Molecular Weight: | 350.46 |
| Molecular Formula: | C22 H26 N2 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCOc2ccc(CN3CCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2374 |
| logD: | 1.1759 |
| logSw: | -3.0552 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.9295 |
| InChI Key: | JBKRPXCETYREHC-UHFFFAOYSA-N |