866017-64-3
Product Name:
1-(4-chlorophenyl)-3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}urea
Formula:
C22H21ClN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.9 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 408.1353036 g/mol |
| Monoisotopic Mass | 408.1353036 g/mol |
| Topological Polar Surface Area | 79.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |