5-amino-7-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-({3-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Chemical Structure Depiction of
5-amino-7-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-({3-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-({3-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Compound characteristics
| Compound ID: | 5066-0069 |
| Compound Name: | 5-amino-7-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-({3-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| Molecular Weight: | 558.66 |
| Molecular Formula: | C30 H30 N4 O5 S |
| Smiles: | CC(C)Oc1ccc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2ccc(c(c2)OC)OC(C)C)N)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0192 |
| logD: | 4.0192 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.441 |
| InChI Key: | AJWIGLCUBHJZNL-MHZLTWQESA-N |