3-(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)-4-chlorobenzoic acid
Chemical Structure Depiction of
3-(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)-4-chlorobenzoic acid
3-(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)-4-chlorobenzoic acid
Compound characteristics
| Compound ID: | 3871-0569 |
| Compound Name: | 3-(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)-4-chlorobenzoic acid |
| Molecular Weight: | 593.01 |
| Molecular Formula: | C29 H21 Cl N2 O8 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c3cc(ccc3[Cl])C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.227 |
| logD: | 2.8554 |
| logSw: | -5.7272 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.841 |
| InChI Key: | TVIYTFNSKPXIII-VWLOTQADSA-N |