4-(5-{[5-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | 2032-0063 |
| Compound Name: | 4-(5-{[5-(2H-1,3-benzodioxol-5-yl)-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: | 558.57 |
| Molecular Formula: | C29 H22 N2 O8 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6044 |
| logD: | 1.8766 |
| logSw: | -5.3379 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.841 |
| InChI Key: | HRHQLYDJLFSMFI-RUZDIDTESA-N |