ethyl 4-[(diethylamino)methyl]-2-({[(diethylamino)methyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate

ethyl 4-[(diethylamino)methyl]-2-({[(diethylamino)methyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate

Formula: C22H34N2O4S

SMILES: CCOC(=O)C1=C(CSCN(CC)CC)OC2=CC=C(O)C(CN(CC)CC)=C12

IUPAC: ethyl 4-[(diethylamino)methyl]-2-({[(diethylamino)methyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate

InChI: InChI=1S/C22H34N2O4S/c1-6-23(7-2)13-16-17(25)11-12-18-20(16)21(22(26)27-10-5)19(28-18)14-29-15-24(8-3)9-4/h11-12,25H,6-10,13-15H2,1-5H3

Composition: C (62.53%), H (8.11%), N (6.63%), O (15.14%), S (7.59%)

Molar Mass: 422.58

Atom Count: 63

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.223928757
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VREMIDPOHMCPKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.88
Topological Polar Surface Area	66.15
Polarizability	47.96
Ring Count	2
Rotatable Bond Count	13

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H34N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00