N-[4-(1-methyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(1-methyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(1-methyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1768 |
| Compound Name: | N-[4-(1-methyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C18 H20 N4 O3 |
| Smiles: | Cn1ccc(C(N2CCOc3ccc(cc3C2)NC(C2CC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3116 |
| logD: | 1.3116 |
| logSw: | -2.2236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.137 |
| InChI Key: | AJFFBUKZKCZAIN-UHFFFAOYSA-N |