488130-02-5
Product Name:
methyl 4-({[3-(4-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate
Formula:
C17H13ClN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 372.8 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 372.0447745 g/mol |
| Monoisotopic Mass | 372.0447745 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 567 |
| 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 |