methyl 2-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-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-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4593-5164 |
| Compound Name: | methyl 2-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C28 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C1C2C(C(N(C2=O)c2c(C(=O)OC)c3CCCCc3s2)=O)ON1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6538 |
| logD: | 4.6538 |
| logSw: | -4.7496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.797 |
| InChI Key: | GOSDQROTNDDOBF-UHFFFAOYSA-N |