4-[5-({5-[4-(dimethylamino)phenyl]-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({5-[4-(dimethylamino)phenyl]-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}methyl)furan-2-yl]benzoic acid
4-[5-({5-[4-(dimethylamino)phenyl]-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 2030-0063 |
| Compound Name: | 4-[5-({5-[4-(dimethylamino)phenyl]-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C30 H27 N3 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7337 |
| logD: | 2.0059 |
| logSw: | -5.3674 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.53 |
| InChI Key: | TYKFDBDENKKCGJ-AREMUKBSSA-N |