ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-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-({1-[(2-chlorophenyl)methyl]-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-({1-[(2-chlorophenyl)methyl]-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: | 3270-0585 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 612.1 |
| Molecular Formula: | C33 H26 Cl N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cn(Cc3ccccc3[Cl])c3ccccc13)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7793 |
| logD: | 6.7793 |
| logSw: | -6.4161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.595 |
| InChI Key: | NGCMLDXWSXYHJK-PMERELPUSA-N |