ethyl 4-{6-methyl-2-[(E)-(thiophen-2-ylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

ethyl 4-{6-methyl-2-[(E)-(thiophen-2-ylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

Formula: C24H24N2O3S2

SMILES: CCOC(=O)C1=CC=C(NC(=O)C2=C(SC3=C2CCC(C)C3)N=CC2=CC=CS2)C=C1

IUPAC: ethyl 4-{6-methyl-2-[(E)-[(thiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

InChI: InChI=1/C24H24N2O3S2/c1-3-29-24(28)16-7-9-17(10-8-16)26-22(27)21-19-11-6-15(2)13-20(19)31-23(21)25-14-18-5-4-12-30-18/h4-5,7-10,12,14-15H,3,6,11,13H2,1-2H3,(H,26,27)/b25-14+

Composition: C (63.69%), H (5.35%), N (6.19%), O (10.61%), S (14.17%)

Molar Mass: 452.59

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	452.122834989
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JWIQCUTZYAVHKK-AFUMVMLFNA-N
Lipinski's Rule of Five
Molar Refractivity	128.82
Topological Polar Surface Area	67.76
Polarizability	47.01
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H24N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00