872573-93-8
Product Name:
Ro 3306
Formula:
C18H13N3OS2
Synonyms:
(5Z)-5-Quinolin-6-ylmethylene-2-[(thiophen-2-ylmethyl)-amino]-thiazol-4-one;5-(6-Quinolinylmethylene)-2-[(2-thienylmethyl)amino]-4(5H)-thiazolone
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COMPUTED DESCRIPTORS
| Molecular Weight | 351.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 351.05000439 g/mol |
| Monoisotopic Mass | 351.05000439 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 548 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |