5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | D434-0716 |
Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 468.49 |
Molecular Formula: | C22 H20 N4 O6 S |
Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)nc(c2ccc(cc2)S(N2CCOCC2)(=O)=O)o1 |
Stereo: | ACHIRAL |
logP: | 2.3729 |
logD: | 2.3729 |
logSw: | -2.8936 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 103.012 |
InChI Key: | QJTGYOHZDNNYCS-UHFFFAOYSA-N |