N-benzyl-4-[(3-methyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(3-methyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(3-methyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
Compound ID: | M400-0294 |
Compound Name: | N-benzyl-4-[(3-methyl-1H-pyrazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
Molecular Weight: | 404.47 |
Molecular Formula: | C23 H24 N4 O3 |
Smiles: | Cc1ccn(CC(N2CCOc3ccc(cc3C2)C(NCc2ccccc2)=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 1.9069 |
logD: | 1.9068 |
logSw: | -2.5898 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.183 |
InChI Key: | DHQNOAPMRBHDBO-UHFFFAOYSA-N |