ethyl 2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5055-4094 |
| Compound Name: | ethyl 2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 561.61 |
| Molecular Formula: | C29 H27 N3 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C(C2C(c3ccc(cc3)[N+]([O-])=O)N(c3ccccc3C)OC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.019 |
| logD: | 5.019 |
| logSw: | -4.8605 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.457 |
| InChI Key: | GAKOOUXIFVPRHC-UHFFFAOYSA-N |