ethyl 5-(4-chlorophenyl)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-chlorophenyl)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-chlorophenyl)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3871-0536 |
| Compound Name: | ethyl 5-(4-chlorophenyl)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 525.02 |
| Molecular Formula: | C27 H25 Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C\c1cc(CC=C)c(c(c1)OC)O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5547 |
| logD: | 5.5536 |
| logSw: | -5.8297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.857 |
| InChI Key: | KZNGNOXXKFAORJ-QHCPKHFHSA-N |