(2Z)-2-cyano-3-(4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

(2Z)-2-cyano-3-(4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula: C29H25FN4O4

SMILES: COC1=CC(C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C23)=CC=C1OCC(=O)NC1=CC=C(F)C=C1

IUPAC: (2Z)-2-cyano-3-(4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

InChI: InChI=1S/C29H25FN4O4/c1-37-27-15-19(6-11-26(27)38-18-28(35)34-23-9-7-22(30)8-10-23)14-21(16-31)29(36)32-13-12-20-17-33-25-5-3-2-4-24(20)25/h2-11,14-15,17,33H,12-13,18H2,1H3,(H,32,36)(H,34,35)/b21-14-

Composition: C (67.96%), H (4.92%), F (3.71%), N (10.93%), O (12.49%)

Molar Mass: 512.541

Atom Count: 63

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	512.185983464
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	VQHKDMFBVCHORA-STZFKDTASA-N
Lipinski's Rule of Five
Molar Refractivity	142.79
Topological Polar Surface Area	116.24
Polarizability	54.3
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H25FN4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00