2-[3-(3-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-(3-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-(3-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: | 4593-5237 |
| Compound Name: | 2-[3-(3-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(c4cccc(c4)[N+]([O-])=O)N(c4ccccc4)OC3C1=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9853 |
| logD: | 3.9853 |
| logSw: | -4.5115 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.061 |
| InChI Key: | NGCTWBZWYZCEQF-UHFFFAOYSA-N |