3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2354 |
| Compound Name: | 3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | Cn1cccc1C(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1651 |
| logD: | 3.1651 |
| logSw: | -3.1103 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.735 |
| InChI Key: | IRYPZLRFMBSPKB-UHFFFAOYSA-N |