2-[3-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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: | 4593-5236 |
Compound Name: | 2-[3-(4-nitrophenyl)-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: | 500.53 |
Molecular Formula: | C26 H20 N4 O5 S |
Smiles: | C1CCc2c(C1)c(C#N)c(N1C(C3C(c4ccc(cc4)[N+]([O-])=O)N(c4ccccc4)OC3C1=O)=O)s2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.076 |
logD: | 4.076 |
logSw: | -4.616 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 95.061 |
InChI Key: | OSELEOGXZVQBFU-UHFFFAOYSA-N |