578002-67-2
Product Name:
(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Formula:
C19H16ClN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.9 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 401.0600902 g/mol |
| Monoisotopic Mass | 401.0600902 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 528 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |