AC1L5CPP

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine

Also Known As: 2,4-dimethyl-1-(1-phenylethyl)benzene|4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid)- n,n-dibutyl-n'-[(4-chlorophenyl)(4-methoxyphenyl)methyl]propane-1,3-diamine(1:1)|4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine|4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine

Molecular Formula	C48H53ClN2O7
Molecular Weight	804.3541 g/mol
LogP	10.7113
Topological Polar Surface Area	140.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	804.3541
Monoisotopic Mass	804.3541
Heavy Atoms	58
Complexity	953.0

Chemical Identifiers

CAS Number	6949-68-4
SMILES	CCCCN(CCCC)CCCNC(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChIKey	UERABDCWDCKJOZ-UHFFFAOYSA-N