338401-16-4
Product Name:
2-ANILINO-5-(4-CHLOROBENZOYL)-4-(1H-PYRROL-1-YL)-3-THIOPHENECARBONITRILE
Formula:
C22H14ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.9 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.0546109 g/mol |
| Monoisotopic Mass | 403.0546109 g/mol |
| Topological Polar Surface Area | 86.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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 |