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

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

Formula: C22H26BrN3O6

SMILES: CCOC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC(Br)=C1OCC(N)=O

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

InChI: InChI=1S/C22H26BrN3O6/c1-2-31-19-10-14(9-17(23)21(19)32-13-20(24)27)12-25-15-3-4-18(16(11-15)22(28)29)26-5-7-30-8-6-26/h3-4,9-11,25H,2,5-8,12-13H2,1H3,(H2,24,27)(H,28,29)

Composition: C (51.98%), H (5.16%), Br (15.72%), N (8.27%), O (18.88%)

Molar Mass: 508.369

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	507.100499
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	DULXQIGDINZYMC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.83
Topological Polar Surface Area	123.35
Polarizability	46.56
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26BrN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00