3-(4-fluorophenyl)-3-hydroxy-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-(4-fluorophenyl)-3-hydroxy-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-(4-fluorophenyl)-3-hydroxy-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: | D005-0361 |
| Compound Name: | 3-(4-fluorophenyl)-3-hydroxy-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: | 476.53 |
| Molecular Formula: | C25 H21 F N4 O3 S |
| Smiles: | COc1ccc(cc1Cn1cccn1)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9698 |
| logD: | 2.9697 |
| logSw: | -3.1819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.87 |
| InChI Key: | REQFAFDRHKXCFR-UHFFFAOYSA-N |