ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-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-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0637 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 609.66 |
| Molecular Formula: | C33 H27 N3 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OC)OCc1ccccc1C#N)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1726 |
| logD: | 5.1726 |
| logSw: | -5.0272 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.864 |
| InChI Key: | XTHLMOLMRAVZDO-SSEXGKCCSA-N |