ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5420-0046 |
| Compound Name: | ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 555.99 |
| Molecular Formula: | C26 H22 Cl N3 O7 S |
| Smiles: | CCOC(c1c(C)c(C)sc1N1C(C2C(c3ccc(cc3)[N+]([O-])=O)N(c3ccc(cc3)[Cl])OC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.797 |
| logD: | 4.797 |
| logSw: | -5.429 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.838 |
| InChI Key: | NDDWDIUNRULTLD-UHFFFAOYSA-N |