ethyl 2-({3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8010-9704 |
| Compound Name: | ethyl 2-({3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 646.59 |
| Molecular Formula: | C34 H29 Cl2 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Cl])OCc1ccccc1C#N)[Cl])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.5247 |
| logD: | 8.5247 |
| logSw: | -6.4461 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.204 |
| InChI Key: | HQCOPNNCNJLXAW-PMERELPUSA-N |