5-[(4-chlorophenyl)methyl]-N-[2-(furan-2-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-N-[2-(furan-2-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-chlorophenyl)methyl]-N-[2-(furan-2-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
Compound ID: | G542-1310 |
Compound Name: | 5-[(4-chlorophenyl)methyl]-N-[2-(furan-2-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
Molecular Weight: | 412.87 |
Molecular Formula: | C21 H21 Cl N4 O3 |
Smiles: | C1CN(Cc2ccc(cc2)[Cl])C(c2cc(C(NCCc3ccco3)=O)nn2C1)=O |
Stereo: | ACHIRAL |
logP: | 2.5831 |
logD: | 2.5831 |
logSw: | -3.5257 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.385 |
InChI Key: | PECACALTFLRWCS-UHFFFAOYSA-N |