N-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopropanecarboxamide
Chemical Structure Depiction of
N-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopropanecarboxamide
N-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1513 |
| Compound Name: | N-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopropanecarboxamide |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C20 H21 N3 O3 |
| Smiles: | C1CC1C(Nc1ccc2c(CN(CCO2)C(Cc2cccnc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8824 |
| logD: | 1.8739 |
| logSw: | -2.2139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.436 |
| InChI Key: | KLRJSEBRUDNVKJ-UHFFFAOYSA-N |