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

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

Formula: C23H28BrN3O6

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

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

InChI: InChI=1S/C23H28BrN3O6/c1-3-32-23(29)17-12-16(4-5-19(17)27-6-8-31-9-7-27)26-13-15-10-18(24)22(20(11-15)30-2)33-14-21(25)28/h4-5,10-12,26H,3,6-9,13-14H2,1-2H3,(H2,25,28)

Composition: C (52.88%), H (5.40%), Br (15.30%), N (8.04%), O (18.38%)

Molar Mass: 522.396

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	521.116149
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	MLJHFECKHARSKB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.6
Topological Polar Surface Area	112.35
Polarizability	48.62
Ring Count	3
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28BrN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00