ethyl 2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3977-0455 |
| Compound Name: | ethyl 2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 511.64 |
| Molecular Formula: | C30 H29 N3 O3 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(C)cc3)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8307 |
| logD: | 5.8307 |
| logSw: | -5.4621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.412 |
| InChI Key: | TVNLBAMFFHFQDY-HHHXNRCGSA-N |