845668-67-9
Product Name:
3-(9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)naphthalen-2-olate
Formula:
C23H21N5OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 415.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 415.14668148 g/mol |
| Monoisotopic Mass | 415.14668148 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 624 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |