5-{[(2-chlorophenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2-chlorophenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[(2-chlorophenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | D434-0731 |
Compound Name: | 5-{[(2-chlorophenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 442.92 |
Molecular Formula: | C21 H19 Cl N4 O3 S |
Smiles: | C1CCN(C1)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccccc2[Cl])o1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9008 |
logD: | 3.9008 |
logSw: | -4.3837 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.354 |
InChI Key: | QLWUTOIHSKBKJC-UHFFFAOYSA-N |