methyl 6-[(2-nitrophenyl)sulfanyl]-2-oxooctahydro-3,5,7-(methanetriyl)cyclobuta[3,4]cyclopenta[1,2-b]pyran-3(2H)-carboxylate
Chemical Structure Depiction of
methyl 6-[(2-nitrophenyl)sulfanyl]-2-oxooctahydro-3,5,7-(methanetriyl)cyclobuta[3,4]cyclopenta[1,2-b]pyran-3(2H)-carboxylate
methyl 6-[(2-nitrophenyl)sulfanyl]-2-oxooctahydro-3,5,7-(methanetriyl)cyclobuta[3,4]cyclopenta[1,2-b]pyran-3(2H)-carboxylate
Compound characteristics
| Compound ID: | 8007-5118 |
| Compound Name: | methyl 6-[(2-nitrophenyl)sulfanyl]-2-oxooctahydro-3,5,7-(methanetriyl)cyclobuta[3,4]cyclopenta[1,2-b]pyran-3(2H)-carboxylate |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C19 H17 N O6 S |
| Smiles: | COC(C12CC3C4C5C(C1C4C5Sc1ccccc1[N+]([O-])=O)C3OC2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7102 |
| logD: | 2.7102 |
| logSw: | -3.1618 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.449 |
| InChI Key: | DGLMVPQMBSZKGW-UHFFFAOYSA-N |