(2E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)prop-2-enamide

(2E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)prop-2-enamide

Formula: C27H25N3O4

SMILES: COC1=CC=CC=C1NC(=O)COC1=CC=C(C=C(/C#N)C(=O)NC2=CC=CC(C)=C2C)C=C1

IUPAC: (2E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)prop-2-enamide

InChI: InChI=1S/C27H25N3O4/c1-18-7-6-9-23(19(18)2)30-27(32)21(16-28)15-20-11-13-22(14-12-20)34-17-26(31)29-24-8-4-5-10-25(24)33-3/h4-15H,17H2,1-3H3,(H,29,31)(H,30,32)/b21-15+

Composition: C (71.19%), H (5.53%), N (9.22%), O (14.05%)

Molar Mass: 455.514

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	455.184506297
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ALSLMNVYAPROLM-RCCKNPSSSA-N
Lipinski's Rule of Five
Molar Refractivity	133.76
Topological Polar Surface Area	100.45
Polarizability	49.28
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00