methyl 2-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

Formula: C18H18BrNO4S

SMILES: CCOC1=CC(Br)=CC(C=NC2=C(C(=O)OC)C3=C(CCC3)S2)=C1O

IUPAC: methyl 2-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

InChI: InChI=1S/C18H18BrNO4S/c1-3-24-13-8-11(19)7-10(16(13)21)9-20-17-15(18(22)23-2)12-5-4-6-14(12)25-17/h7-9,21H,3-6H2,1-2H3/b20-9+

Composition: C (50.95%), H (4.28%), Br (18.83%), N (3.30%), O (15.08%), S (7.56%)

Molar Mass: 424.31

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	423.013992
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YULZUNWXXACKIX-AWQFTUOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.31
Topological Polar Surface Area	68.12
Polarizability	38.07
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18BrNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00