3-hydroxy-3-(4-methoxyphenyl)-7-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-hydroxy-3-(4-methoxyphenyl)-7-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-3-(4-methoxyphenyl)-7-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0360 |
| Compound Name: | 3-hydroxy-3-(4-methoxyphenyl)-7-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | COc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1ccc(c(Cn2cccn2)c1)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9231 |
| logD: | 2.923 |
| logSw: | -3.1696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.414 |
| InChI Key: | YFYBQPXXVZOXKJ-UHFFFAOYSA-N |