methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-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
methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-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: | 4593-5764 |
| Compound Name: | methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-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: | Cc1ccc(cc1)C1C2C(C(N(C2=O)c2c(C(=O)OC)c3CCCCc3s2)=O)ON1c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1344 |
| logD: | 5.1344 |
| logSw: | -5.2299 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.496 |
| InChI Key: | GXCHQBXNZCNSIZ-UHFFFAOYSA-N |