3-(5-{[5-(3-bromo-4-methoxyphenyl)-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
3-(5-{[5-(3-bromo-4-methoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[5-(3-bromo-4-methoxyphenyl)-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: | 4489-4160 |
| Compound Name: | 3-(5-{[5-(3-bromo-4-methoxyphenyl)-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: | 623.48 |
| Molecular Formula: | C29 H23 Br N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Br])OC)N2C(=NC=1C)SC(=C/c1ccc(c3cccc(c3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0034 |
| logD: | 2.4907 |
| logSw: | -5.4565 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.356 |
| InChI Key: | LXIIROFESMFXMS-VWLOTQADSA-N |