N-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1597 |
| Compound Name: | N-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C18 H20 N4 O3 |
| Smiles: | Cn1cc(cn1)C(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1 |
| logD: | 1.0999 |
| logSw: | -2.2364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.254 |
| InChI Key: | PIPHAHSJPFKJBX-UHFFFAOYSA-N |