methyl 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-carboxylate
Chemical Structure Depiction of
methyl 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-carboxylate
methyl 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-carboxylate
Compound characteristics
| Compound ID: | 4593-5241 |
| Compound Name: | methyl 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-carboxylate |
| Molecular Weight: | 533.56 |
| Molecular Formula: | C27 H23 N3 O7 S |
| Smiles: | COC(c1c2CCCCc2sc1N1C(C2C(c3cccc(c3)[N+]([O-])=O)N(c3ccccc3)OC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0654 |
| logD: | 4.0654 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.178 |
| InChI Key: | NRMQXNDENAVQLR-UHFFFAOYSA-N |