N-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1592 |
| Compound Name: | N-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | Cc1cc(C(N2CCOc3ccc(cc3C2)NC(C2CC2)=O)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 1.6201 |
| logD: | 1.6201 |
| logSw: | -2.2912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.932 |
| InChI Key: | ABOPTJKABLSWKB-UHFFFAOYSA-N |