94772-00-6
Product Name:
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide
Formula:
C18H18N8O5S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 458.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 458.11208688 g/mol |
| Monoisotopic Mass | 458.11208688 g/mol |
| Topological Polar Surface Area | 193 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 668 |
| 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 |