4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0128 |
| Compound Name: | 4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CCn1cc(CN2CCOc3ccc(cc3C2)C(NCc2ccc(C)cc2)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9306 |
| logD: | -1.1597 |
| logSw: | -3.0221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.83 |
| InChI Key: | WEUALHDXFGFBPX-UHFFFAOYSA-N |