33342-05-1
Product Name:
Gliquidone
Formula:
C27H33N3O6S
Synonyms:
2-{2-[4-({[(cyclohexylamino)carbonyl]amino}sulfonyl)phenyl]ethyl}-7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 180-182 |
| Solubility | 69.5 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 4.5 |
COMPUTED DESCRIPTORS
| Molecular Weight | 527.6 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 527.20900695 g/mol |
| Monoisotopic Mass | 527.20900695 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 948 |
| 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 |
PRODUCT INTRODUCTION
description
1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea is a member of isoquinolines.