N-(4-cyanophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
N-(4-cyanophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
Compound characteristics
Compound ID: | L299-1700 |
Compound Name: | N-(4-cyanophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide |
Molecular Weight: | 465.49 |
Molecular Formula: | C22 H19 N5 O5 S |
Smiles: | Cc1c(c2ccc(c(c2)S(Nc2ccc(C#N)cc2)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.0779 |
logD: | -0.3788 |
logSw: | -2.4424 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 117.749 |
InChI Key: | MLWUIDSTAGOAQO-UHFFFAOYSA-N |