methyl 4-(4-methoxyphenyl)-2-methyl-7-(4-nitrophenyl)-6,8-dioxo-6,7,8,8a-tetrahydro-4H,5aH-pyrrolo[3',4':4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-methoxyphenyl)-2-methyl-7-(4-nitrophenyl)-6,8-dioxo-6,7,8,8a-tetrahydro-4H,5aH-pyrrolo[3',4':4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
methyl 4-(4-methoxyphenyl)-2-methyl-7-(4-nitrophenyl)-6,8-dioxo-6,7,8,8a-tetrahydro-4H,5aH-pyrrolo[3',4':4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | Y021-3378 |
| Compound Name: | methyl 4-(4-methoxyphenyl)-2-methyl-7-(4-nitrophenyl)-6,8-dioxo-6,7,8,8a-tetrahydro-4H,5aH-pyrrolo[3',4':4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 508.51 |
| Molecular Formula: | C24 H20 N4 O7 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C3C(C(N(C3=O)c3ccc(cc3)[N+]([O-])=O)=O)SC2=N1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4168 |
| logD: | 2.4168 |
| logSw: | -2.5848 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.399 |
| InChI Key: | OFENKDNTLLJPND-UHFFFAOYSA-N |