4-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Chemical Structure Depiction of
4-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
4-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Compound characteristics
| Compound ID: | 3871-0630 |
| Compound Name: | 4-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid |
| Molecular Weight: | 534.61 |
| Molecular Formula: | C27 H22 N2 O6 S2 |
| Smiles: | CCOC(C1C(c2cccs2)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(cc3C)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5733 |
| logD: | 2.3382 |
| logSw: | -5.2335 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.744 |
| InChI Key: | CDFNXQHPUAHKLW-HSZRJFAPSA-N |