1-(4-{4-[(E)-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino]phenyl}piperazin-1-yl)butan-1-one

1-(4-{4-[(E)-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino]phenyl}piperazin-1-yl)butan-1-one

Formula: C23H27Br2N3O3

SMILES: CCCC(=O)N1CCN(CC1)C1=CC=C(C=C1)N=CC1=C(O)C(OCC)=CC(Br)=C1Br

IUPAC: 1-(4-{4-[(E)-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino]phenyl}piperazin-1-yl)butan-1-one

InChI: InChI=1S/C23H27Br2N3O3/c1-3-5-21(29)28-12-10-27(11-13-28)17-8-6-16(7-9-17)26-15-18-22(25)19(24)14-20(23(18)30)31-4-2/h6-9,14-15,30H,3-5,10-13H2,1-2H3/b26-15+

Composition: C (49.93%), H (4.92%), Br (28.88%), N (7.59%), O (8.67%)

Molar Mass: 553.295

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	551.041918
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HIBAPSZJONWINR-CVKSISIWSA-N
Lipinski's Rule of Five
Molar Refractivity	133.8
Topological Polar Surface Area	65.37
Polarizability	49.41
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H27Br2N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00