ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0535 |
| Compound Name: | ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C30 H28 N4 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(cc3)[N+]([O-])=O)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3111 |
| logD: | 5.3111 |
| logSw: | -5.3375 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.338 |
| InChI Key: | HALYNTKEVFPDKW-HHHXNRCGSA-N |