5-[({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

5-[({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

Formula: C27H28BrClN2O5

SMILES: CCOC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC(Br)=C1OCC1=CC=CC=C1Cl

IUPAC: 5-[({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C27H28BrClN2O5/c1-2-35-25-14-18(13-22(28)26(25)36-17-19-5-3-4-6-23(19)29)16-30-20-7-8-24(21(15-20)27(32)33)31-9-11-34-12-10-31/h3-8,13-15,30H,2,9-12,16-17H2,1H3,(H,32,33)

Composition: C (56.31%), H (4.90%), Br (13.88%), Cl (6.16%), N (4.86%), O (13.89%)

Molar Mass: 575.88

Atom Count: 64

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	574.087013
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	JMOKDHJYVGRQLB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.34
Topological Polar Surface Area	80.26
Polarizability	54.85
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28BrClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00