ethyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-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)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4593-5760 |
| Compound Name: | ethyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C29 H28 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C(C2C(c3ccccc3)N(c3ccccc3C)OC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0976 |
| logD: | 5.0976 |
| logSw: | -5.0416 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.076 |
| InChI Key: | QFYQOZHFIRBPAQ-UHFFFAOYSA-N |