3-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 3-fluorobenzoate

3-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 3-fluorobenzoate

Formula: C28H20FN3O4S

SMILES: FC1=CC=CC(=C1)C(=O)OC1=CC=CC(C=NNC(=O)C(NC(=O)C2=CC=CC=C2)=C/C2=CC=CS2)=C1

IUPAC: 3-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 3-fluorobenzoate

InChI: InChI=1S/C28H20FN3O4S/c29-22-11-5-10-21(16-22)28(35)36-23-12-4-7-19(15-23)18-30-32-27(34)25(17-24-13-6-14-37-24)31-26(33)20-8-2-1-3-9-20/h1-18H,(H,31,33)(H,32,34)/b25-17+,30-18+

Composition: C (65.49%), H (3.93%), F (3.70%), N (8.18%), O (12.46%), S (6.24%)

Molar Mass: 513.54

Atom Count: 57

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	513.115855473
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SJGOTJKONPZQER-IHQYTQDJSA-N
Lipinski's Rule of Five
Molar Refractivity	140.63
Topological Polar Surface Area	96.86
Polarizability	51.89
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H20FN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00