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

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

Formula: C27H28Cl2N2O5

SMILES: CCOC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC(Cl)=C1OCC1=CC=C(Cl)C=C1

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

InChI: InChI=1S/C27H28Cl2N2O5/c1-2-35-25-14-19(13-23(29)26(25)36-17-18-3-5-20(28)6-4-18)16-30-21-7-8-24(22(15-21)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 (61.02%), H (5.31%), Cl (13.34%), N (5.27%), O (15.05%)

Molar Mass: 531.43

Atom Count: 64

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	530.1375274
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	SOOFMBAXGDQJDD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.52
Topological Polar Surface Area	80.26
Polarizability	53.96
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28Cl2N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00