5-[benzyl(methyl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-[benzyl(methyl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-[benzyl(methyl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0732 |
| Compound Name: | 5-[benzyl(methyl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CN(Cc1ccccc1)c1c(C#N)nc(c2ccc(cc2)S(N2CCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7819 |
| logD: | 3.7819 |
| logSw: | -3.9804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.334 |
| InChI Key: | AKAVPPYZSFHRNW-UHFFFAOYSA-N |