646995-35-9
Product Name:
BAY 58-2667 hydrochloride
Formula:
C36H40ClNO5
Synonyms:
4-[((4-Carboxybutyl){2-[(4-phenethylbenzyl)oxy]phenethyl}amino)methyl[benzoic]acid hydrochloride;4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-benzoic acid hydrochloride;BAY 58-2667 hydrochloride;BAY582667 hydrochloride;UNII-59K0Y58UAD hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 602.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 17 |
| Exact Mass | 601.2595011 g/mol |
| Monoisotopic Mass | 601.2595011 g/mol |
| Topological Polar Surface Area | 87.1 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 767 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |