896296-78-9
Product Name:
Benzoic acid, 4-[[2-[[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester
Formula:
C23H21N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 447.13651072 g/mol |
| Monoisotopic Mass | 447.13651072 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 619 |
| 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 |