ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-methoxybenzamido)thiophene-3-carboxylate

ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-methoxybenzamido)thiophene-3-carboxylate

Formula: C23H21NO6S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(OC)C=C2)SC=C1C1COC2=C(O1)C=CC=C2

IUPAC: ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-methoxybenzamido)thiophene-3-carboxylate

InChI: InChI=1/C23H21NO6S/c1-3-28-23(26)20-16(19-12-29-17-6-4-5-7-18(17)30-19)13-31-22(20)24-21(25)14-8-10-15(27-2)11-9-14/h4-11,13,19H,3,12H2,1-2H3,(H,24,25)

Composition: C (62.86%), H (4.82%), N (3.19%), O (21.84%), S (7.29%)

Molar Mass: 439.48

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	439.108958574
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QRQUFWGAXLLPTL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.33
Topological Polar Surface Area	83.09
Polarizability	44.34
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H21NO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00