93468-89-4
Product Name:
(+/-)-BAY K 8644
Formula:
C16H15F3N2O4
Synonyms:
(±)-Bay K 8644 - CAS 93468-89-4 - Calbiochem;1,4-Dihydro-2,6-dimethyl-5-nitro-4-[2ʹ-(trifluoromethyl)phenyl]-3-pyridinecarboxylic Acid Methyl Ester
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 356.30 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 356.09839145 g/mol |
| Monoisotopic Mass | 356.09839145 g/mol |
| Topological Polar Surface Area | 84.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 634 |
| 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
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate is a pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6. It is a dihydropyridine, a methyl ester, a C-nitro compound and a member of (trifluoromethyl)benzenes.