2-[2-(4-chlorophenyl)-3-(furan-2-yl)-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-(furan-2-yl)-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-(furan-2-yl)-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: | 5055-3945 |
| Compound Name: | 2-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C24 H18 Cl N3 O4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C(C3C(c4ccco4)N(c4ccc(cc4)[Cl])OC3C1=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0302 |
| logD: | 4.0302 |
| logSw: | -4.9554 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.258 |
| InChI Key: | PEKOAXRGSBGSSR-UHFFFAOYSA-N |