(2E)-1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one

(2E)-1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one

Formula: C21H21ClN2O3

SMILES: ClC1=CC=CC=C1C=CC(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1

IUPAC: (2E)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one

InChI: InChI=1S/C21H21ClN2O3/c22-18-4-2-1-3-17(18)6-8-21(25)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)27-15-26-19/h1-8,13H,9-12,14-15H2/b8-6+

Composition: C (65.54%), H (5.50%), Cl (9.21%), N (7.28%), O (12.47%)

Molar Mass: 384.86

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	384.1240702
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NYAFUNLQYDWRAV-SOFGYWHQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.91
Topological Polar Surface Area	42.01
Polarizability	40.75
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00