N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0431 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C26 H30 N4 O4 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCc4ccc(c(c4)OC)OC)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3668 |
| logD: | 2.3668 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.897 |
| InChI Key: | KQJDBDHOEJWNOA-UHFFFAOYSA-N |