ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4137-1028 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 635.49 |
| Molecular Formula: | C30 H23 Br N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1c1ccccc1)SC(=C/c1cc(cc(c1O)OC)[Br])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5426 |
| logD: | 6.4603 |
| logSw: | -5.5265 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.202 |
| InChI Key: | COZHAOLADMQRBJ-SANMLTNESA-N |