192053-05-7
Product Name:
1,4-DIHYDRO-2-METHYL-6-PHENYL-4-(PHENYLETHYNYL)-3,5-PYRIDINEDICARBOXYLIC ACID 3-ETHYL-5-[(3-NITROPHENYL)METHYL] ESTER
Formula:
C31H26N2O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 522.5 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 522.17908655 g/mol |
| Monoisotopic Mass | 522.17908655 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1040 |
| 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
2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester is a cinnamate ester.