N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0278 |
| Compound Name: | N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCOc3ccc(cc3C2)C(NCc2ccccc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9802 |
| logD: | 1.9801 |
| logSw: | -2.628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.724 |
| InChI Key: | VPQZOZLUAWUANI-UHFFFAOYSA-N |