694499-27-9
Product Name:
N-{1-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Formula:
C23H27N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 453.6 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 453.18346091 g/mol |
| Monoisotopic Mass | 453.18346091 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 616 |
| 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 |