CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | >190 ºC |
|---|---|
| Solubility | <1 mg/ml |
| LogP | 4.55 |
COMPUTED DESCRIPTORS
| Molecular Weight | 416.9 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 416.1152369 g/mol |
| Monoisotopic Mass | 416.1152369 g/mol |
| Topological Polar Surface Area | 86.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 668 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone is a member of isoquinolines.