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-carbonitrile
Chemical Structure Depiction of
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-carbonitrile
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-carbonitrile
Compound characteristics
| Compound ID: | 4593-5163 |
| Compound Name: | 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-carbonitrile |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C27 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1C2C(C(N(C2=O)c2c(C#N)c3CCCCc3s2)=O)ON1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5737 |
| logD: | 4.5737 |
| logSw: | -4.6936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.679 |
| InChI Key: | RGHRGTBKBUTSJT-UHFFFAOYSA-N |