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

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

Formula: C24H30BrN3O6

SMILES: CCOC(=O)C1=CC(NCC2=CC(Br)=C(OCC(N)=O)C(OCC)=C2)=CC=C1N1CCOCC1

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

InChI: InChI=1S/C24H30BrN3O6/c1-3-32-21-12-16(11-19(25)23(21)34-15-22(26)29)14-27-17-5-6-20(28-7-9-31-10-8-28)18(13-17)24(30)33-4-2/h5-6,11-13,27H,3-4,7-10,14-15H2,1-2H3,(H2,26,29)

Composition: C (53.74%), H (5.64%), Br (14.90%), N (7.83%), O (17.90%)

Molar Mass: 536.423

Atom Count: 64

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	535.131799
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	BENPHXLGJMJRLQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.35
Topological Polar Surface Area	112.35
Polarizability	50.44
Ring Count	3
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H30BrN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00