AC1L4ZIE

1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride

Also Known As: 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride|Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-2H-1-benzothiopyran-4-yl)phenoxy)ethyl)-, hydrochloride|1-(2-(4-(7-Methoxy-3-phenyl-2H-1-benzothiopyran-4-yl)phenoxy)ethyl)pyrrolidine hydrochloride|1-{2-[4-(7-methoxy-3-phenyl-2h-thiochromen-4-yl)phenoxy]ethyl}pyrrolidine hydrochloride(1:1)|1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride|1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine,hydrochloride|1-{2-[4-(7-Methoxy-3-phenyl-2H-1-benzothiopyran-4-yl)phenoxy]ethyl}pyrrolidine--hydrogen chloride (1/1)

Molecular Formula	C28H30ClNO2S
Molecular Weight	479.16858 g/mol
LogP	6.6564
Topological Polar Surface Area	47.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	479.16858
Monoisotopic Mass	479.16858
Heavy Atoms	33
Complexity	617.0

Chemical Identifiers

CAS Number	4100-29-2
SMILES	COC1=CC2=C(C=C1)C(=C(CS2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl
InChIKey	KPQNEISYAGOQNN-UHFFFAOYSA-N