N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2599 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCc4ccc(c(c4)OC)OC)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7543 |
| logD: | 2.7543 |
| logSw: | -2.9462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.056 |
| InChI Key: | KWHRQNGBIWLHDU-UHFFFAOYSA-N |