AC1MII1Q

1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol;oxalic acid

Also Known As: 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate|2-Propanol, 3-(tert-butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-, oxalate|1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol; oxalic acid|Oxalic acid--1-(tert-butylamino)-3-{4-chloro-2-[1-(1H-pyrazol-1-yl)ethen-1-yl]phenoxy}propan-2-ol (1/1)|Oxalic acid--1-(tert-butylamino)-3-{4-chloro-2-[1-(1H-pyrazol-1-yl)ethenyl]phenoxy}propan-2-ol (1/1)

Molecular Formula	C20H26ClN3O6
Molecular Weight	439.151 g/mol
LogP	2.3389
Topological Polar Surface Area	133.91 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	439.151
Monoisotopic Mass	439.151
Heavy Atoms	30
Complexity	849.92194

Chemical Identifiers

CAS Number	85128-06-9
SMILES	CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=C)N2C=CC=N2)O.C(=O)(C(=O)O)O