7-(3-chlorophenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
7-(3-chlorophenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(3-chlorophenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
Compound ID: | D005-0022 |
Compound Name: | 7-(3-chlorophenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
Molecular Weight: | 396.89 |
Molecular Formula: | C21 H17 Cl N2 O2 S |
Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1cccc(c1)[Cl])O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.2421 |
logD: | 4.2421 |
logSw: | -4.4192 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.717 |
InChI Key: | HPEUZXYMBWVYSM-UHFFFAOYSA-N |