N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | S555-1446 |
| Compound Name: | N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | Cc1c(cn(C)n1)C(N1CCOc2ccc(cc2C1)NC(COC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.484 |
| logD: | 0.484 |
| logSw: | -2.2338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.566 |
| InChI Key: | VYRUTHZPPBQBGJ-UHFFFAOYSA-N |