4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
Chemical Structure Depiction of
4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
Compound characteristics
| Compound ID: | 6194-0119 |
| Compound Name: | 4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C25 H25 N3 O7 S2 |
| Smiles: | CC(C)CC(C(O)=O)N1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9137 |
| logD: | -1.1409 |
| logSw: | -3.3874 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.035 |
| InChI Key: | DGMZWXRLDGCVLP-UHFFFAOYSA-N |