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

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

Formula: C22H19NO5S

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

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

InChI: InChI=1/C22H19NO5S/c1-2-26-22(25)19-15(18-12-27-16-10-6-7-11-17(16)28-18)13-29-21(19)23-20(24)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H,23,24)

Composition: C (64.53%), H (4.68%), N (3.42%), O (19.54%), S (7.83%)

Molar Mass: 409.46

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	409.09839389
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SEEJNVMAWSDZJK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.87
Topological Polar Surface Area	73.86
Polarizability	41.8
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00