(3-methylphenyl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
(3-methylphenyl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
(3-methylphenyl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S555-0194 |
| Compound Name: | (3-methylphenyl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C21 H24 N2 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCOc2ccc(cc2C1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.669 |
| logD: | 3.6688 |
| logSw: | -3.6471 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.6493 |
| InChI Key: | DUVDZKAXRVQTHM-UHFFFAOYSA-N |