4-{4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-2-ethoxyphenoxymethyl}benzoic acid

4-{4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-2-ethoxyphenoxymethyl}benzoic acid

Formula: C27H24N2O5

SMILES: CCOC1=CC(C=C(C#N)C(=O)NC2=CC=C(C)C=C2)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-2-ethoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C27H24N2O5/c1-3-33-25-15-20(14-22(16-28)26(30)29-23-11-4-18(2)5-12-23)8-13-24(25)34-17-19-6-9-21(10-7-19)27(31)32/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b22-14-

Composition: C (71.04%), H (5.30%), N (6.14%), O (17.52%)

Molar Mass: 456.498

Atom Count: 58

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	456.168521881
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	DIBJRNKXEFNFNC-HMAPJEAMSA-N
Lipinski's Rule of Five
Molar Refractivity	130.98
Topological Polar Surface Area	108.65
Polarizability	48.64
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H24N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00