ethyl 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C21H24N2O5S2

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC=C(OC)C(OC)=C2)SC2=C1CCCC2

IUPAC: ethyl 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C21H24N2O5S2/c1-4-28-20(25)17-13-7-5-6-8-16(13)30-19(17)23-21(29)22-18(24)12-9-10-14(26-2)15(11-12)27-3/h9-11H,4-8H2,1-3H3,(H2,22,23,24,29)

Composition: C (56.23%), H (5.39%), N (6.25%), O (17.83%), S (14.29%)

Molar Mass: 448.55

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.112664229
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VRIRNQLMOBLNPE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.21
Topological Polar Surface Area	85.89
Polarizability	45.66
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24N2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00