N-[(furan-2-yl)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-[(furan-2-yl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(furan-2-yl)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: | G542-2441 |
| Compound Name: | N-[(furan-2-yl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCc4ccco4)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.89 |
| logD: | 2.8899 |
| logSw: | -3.1733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.544 |
| InChI Key: | BUUPLXISIPNZHP-UHFFFAOYSA-N |