568543-91-9
Product Name:
Benzoic acid, 2-[[2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-
Formula:
C24H21N5O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 459.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 459.13651072 g/mol |
| Monoisotopic Mass | 459.13651072 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 683 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |