103733-49-9
Product Name:
QUINAPRIL RELATED COMPOUND A (50 MG) (ETHYL[3S-[2(R*),3A,11A BETA]]-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENY-LETHYL)-2H-PYRAZINO[1,2-B]ISOQUINOLINE-2-ACETATE)
Formula:
C25H28N2O4
Synonyms:
(αS,3S,11aS)-1,3,4,6,11,11a-Hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)-2H-pyrazino[1,2-b]isoquinoline-2-acetic acid ethyl ester;Quinapril diketopiperazine
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 420.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 420.20490738 g/mol |
| Monoisotopic Mass | 420.20490738 g/mol |
| Topological Polar Surface Area | 66.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 674 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |