COMPUTED DESCRIPTORS
| Molecular Weight | 408.0 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 407.1434259 g/mol |
| Monoisotopic Mass | 407.1434259 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 457 |
| 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
Octanoic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- is a medium-chain fatty acid.