2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4593-5484 |
| Compound Name: | 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 520.01 |
| Molecular Formula: | C27 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1)C1C2C(C(N(C2=O)c2c(C#N)c3CCCCc3s2)=O)ON1c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.849 |
| logD: | 4.849 |
| logSw: | -5.3194 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.223 |
| InChI Key: | WVECGOSHLCROMP-UHFFFAOYSA-N |