ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl-2-phenyl-1H-indol-3-yl)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-[(5,7-dimethyl-2-phenyl-1H-indol-3-yl)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-[(5,7-dimethyl-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3871-0574 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C34 H29 N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1c3cc(C)cc(C)c3[nH]c1c1ccccc1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.285 |
| logD: | 7.285 |
| logSw: | -5.6559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.481 |
| InChI Key: | MIIAEZBTIXZFRG-WJOKGBTCSA-N |