N-cyclopropyl-3-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N-cyclopropyl-3-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1679 |
| Compound Name: | N-cyclopropyl-3-{4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(Cc2cccnc2)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.829 |
| logD: | 1.8205 |
| logSw: | -1.7448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.078 |
| InChI Key: | DNYMUKUTSUTPAD-UHFFFAOYSA-N |