121264-04-8
Product Name:
ICI 204,448 HYDROCHLORIDE
Formula:
C23H27Cl3N2O4
Synonyms:
(±)-1-[2,3-(Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-2-butanol hydrochloride;R,S-[3-[1-[[(3,4-Dichlorophenyl)acetyl]methylamino]-2-(1-pyrrolidinyl)ethyl] phenoxy]-acetic acid hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 501.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 500.103640 g/mol |
| Monoisotopic Mass | 500.103640 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 602 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |