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 |