ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(3,4,5-trimethoxyphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(3,4,5-trimethoxyphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

Formula: C27H30N2O8S2

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC(OC)=C(OC)C(OC)=C2)SC(C)=C1C1=CC=C(OC)C(OC)=C1

IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(3,4,5-trimethoxyphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

InChI: InChI=1S/C27H30N2O8S2/c1-8-37-26(31)22-21(15-9-10-17(32-3)18(11-15)33-4)14(2)39-25(22)29-27(38)28-24(30)16-12-19(34-5)23(36-7)20(13-16)35-6/h9-13H,8H2,1-7H3,(H2,28,29,30,38)

Composition: C (56.43%), H (5.26%), N (4.87%), O (22.27%), S (11.16%)

Molar Mass: 574.66

Atom Count: 69

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	574.144358282
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	XWHKJKXRJZMLBJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	153.37
Topological Polar Surface Area	113.58
Polarizability	59.44
Ring Count	3
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N2O8S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00