methyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4593-5238 |
| Compound Name: | methyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C25 H21 N3 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(N2C(C3C(c4cccc(c4)[N+]([O-])=O)N(c4ccccc4)OC3C2=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6078 |
| logD: | 3.6078 |
| logSw: | -4.1134 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.258 |
| InChI Key: | QAVGYZMLNOINKU-UHFFFAOYSA-N |