477864-48-5
Product Name:
2-[(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)CARBONYL]-3-(2-NITROPHENYL)-1,1-CYCLOPROPANEDICARBONITRILE
Formula:
C22H14N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.07866149 g/mol |
| Monoisotopic Mass | 414.07866149 g/mol |
| Topological Polar Surface Area | 152 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 786 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |