ethyl 2-{[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3184-1062 |
| Compound Name: | ethyl 2-{[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 647.86 |
| Molecular Formula: | C38 H37 N3 O3 S2 |
| Smiles: | CCOC(C1C(c2cccs2)N2C(=NC=1c1ccccc1)SC(=C/c1cc(C)n(c3ccc(cc3)C3CCCCC3)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.0185 |
| logD: | 9.0184 |
| logSw: | -5.5544 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.581 |
| InChI Key: | AYHLZAYHYSWFIW-PGUFJCEWSA-N |