ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4593-5239 |
| Compound Name: | ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate |
| Molecular Weight: | 521.55 |
| Molecular Formula: | C26 H23 N3 O7 S |
| Smiles: | CCOC(c1c(C)c(C)sc1N1C(C2C(c3cccc(c3)[N+]([O-])=O)N(c3ccccc3)OC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9901 |
| logD: | 3.9901 |
| logSw: | -4.2982 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.838 |
| InChI Key: | ULOLGBZDOHNAAX-UHFFFAOYSA-N |