6-acetyl-2-({3,5-diiodo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-2-({3,5-diiodo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-2-({3,5-diiodo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 8008-6944 |
| Compound Name: | 6-acetyl-2-({3,5-diiodo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 725.39 |
| Molecular Formula: | C27 H25 I2 N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)N(C)C)N2C(=N1)SC(=C\c1cc(c(c(c1)I)OCC=C)I)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2605 |
| logD: | 6.2462 |
| logSw: | -5.5318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.216 |
| InChI Key: | KPQRXLLQCPJYRK-DEOSSOPVSA-N |