477872-70-1
Product Name:
METHYL 3-(2-[2-(CYCLOHEXYLAMINO)-2-OXOACETYL]-1H-PYRROL-1-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
Formula:
C22H22N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 410.13002836 g/mol |
| Monoisotopic Mass | 410.13002836 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 636 |
| 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 |