4-benzyl-N-[(4-chlorophenyl)methyl]phthalazin-1-amine

4-benzyl-N-[(4-chlorophenyl)methyl]phthalazin-1-amine

CAS: 338403-99-9

Formula: C22H18ClN3

SMILES: ClC1=CC=C(CNC2=C3C=CC=CC3=C(CC3=CC=CC=C3)N=N2)C=C1

IUPAC: 4-benzyl-N-[(4-chlorophenyl)methyl]phthalazin-1-amine

InChI: InChI=1S/C22H18ClN3/c23-18-12-10-17(11-13-18)15-24-22-20-9-5-4-8-19(20)21(25-26-22)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)

Composition: C (73.43%), H (5.04%), Cl (9.85%), N (11.68%)

Molar Mass: 359.86

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	359.1189253
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UEBUWFGJVUFRLL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.45
Topological Polar Surface Area	37.81
Polarizability	41.89
Ring Count	4
Rotatable Bond Count	5

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