3-{2-bromo-4-[(1Z)-2-cyano-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}eth-1-en-1-yl]-6-ethoxyphenoxymethyl}benzoic acid

3-{2-bromo-4-[(1Z)-2-cyano-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}eth-1-en-1-yl]-6-ethoxyphenoxymethyl}benzoic acid

Formula: C30H26BrN3O5

SMILES: CCOC1=CC(C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C23)=CC(Br)=C1OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-({2-bromo-4-[(1Z)-2-cyano-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}eth-1-en-1-yl]-6-ethoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C30H26BrN3O5/c1-2-38-27-15-20(14-25(31)28(27)39-18-19-6-5-7-21(12-19)30(36)37)13-23(16-32)29(35)33-11-10-22-17-34-26-9-4-3-8-24(22)26/h3-9,12-15,17,34H,2,10-11,18H2,1H3,(H,33,35)(H,36,37)/b23-13-

Composition: C (61.23%), H (4.45%), Br (13.58%), N (7.14%), O (13.59%)

Molar Mass: 588.458

Atom Count: 65

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	587.105584
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	YIMSOAPBPNDHFF-QRVIBDJDSA-N
Lipinski's Rule of Five
Molar Refractivity	152.45
Topological Polar Surface Area	124.44
Polarizability	58.48
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H26BrN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00