5-(5-{[6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(5-{[6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
5-(5-{[6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8009-3609 |
| Compound Name: | 5-(5-{[6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 579.03 |
| Molecular Formula: | C29 H23 Cl N2 O7 S |
| Smiles: | CC1=C(C(c2ccc(cc2OC)OC)N2C(=N1)SC(=C\c1ccc(c3ccc(c(c3)C(O)=O)[Cl])o1)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4834 |
| logD: | 1.0531 |
| logSw: | -5.5891 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.973 |
| InChI Key: | XDUGJILQUZNCBC-SANMLTNESA-N |