N-benzyl-4-[3-(1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[3-(1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[3-(1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0290 |
| Compound Name: | N-benzyl-4-[3-(1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | C(Cn1cccn1)C(N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9406 |
| logD: | 1.9406 |
| logSw: | -2.6275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.49 |
| InChI Key: | SIAMNXVJJJVJIN-UHFFFAOYSA-N |