N-benzyl-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0286 |
| Compound Name: | N-benzyl-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CCn1c(C)c(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9242 |
| logD: | -0.9502 |
| logSw: | -3.1559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.254 |
| InChI Key: | OKHVDDFBEYEMHQ-UHFFFAOYSA-N |