4-(5-{[6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3184-0826 |
| Compound Name: | 4-(5-{[6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 662.76 |
| Molecular Formula: | C38 H34 N2 O7 S |
| Smiles: | CCOC(C1C(c2cc(C(C)C)c(cc2C)OC)N2C(=NC=1c1ccccc1)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.8498 |
| logD: | 5.122 |
| logSw: | -5.5958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.585 |
| InChI Key: | IWQULJLAAOTBCU-UUWRZZSWSA-N |