936336-21-9
Product Name:
Purple dye
Formula:
C48H47N3O4S3
Synonyms:
5-[[4-[4-(2,2-Diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopent[b]indol-7-yl]methylene]-2-(3-octyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-3-thiazolidineacetic acid;Indoline dye D205;Purple dye
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 826.1 g/mol |
|---|---|
| XLogP3 | 12.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 825.27287051 g/mol |
| Monoisotopic Mass | 825.27287051 g/mol |
| Topological Polar Surface Area | 164 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |