947598-69-8
Product Name:
5-(Methylthio)-4-phenyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid methyl ester
Formula:
C17H15NO2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 329.4 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 329.05442107 g/mol |
| Monoisotopic Mass | 329.05442107 g/mol |
| Topological Polar Surface Area | 84.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 381 |
| 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 |