862156-92-1
Product Name:
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one:hydrochloric acid acid:hydrate
Formula:
C16H18ClF6N5O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 461.79 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 461.1053215 g/mol |
| Monoisotopic Mass | 461.1053215 g/mol |
| Topological Polar Surface Area | 78 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 566 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |