ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-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)-7-methyl-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0597 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C29 H25 N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cn(CC=C)c3ccccc13)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1245 |
| logD: | 5.1245 |
| logSw: | -5.1669 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.845 |
| InChI Key: | AZXLPILQWSAYSK-AREMUKBSSA-N |