6359-80-4
Product Name:
sodium 2'-[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
Formula:
C31H23N6NaO4S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 660.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 660.06841097 g/mol |
| Monoisotopic Mass | 660.06841097 g/mol |
| Topological Polar Surface Area | 205 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1240 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |