861209-94-1
Product Name:
7-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE
Formula:
C14H10ClFN4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 6.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 288.71 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 288.0578022 g/mol |
| Monoisotopic Mass | 288.0578022 g/mol |
| Topological Polar Surface Area | 72 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 550 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is a diazepine.