ethyl 4-{6-tert-butyl-2-[(E)-[(2,5-dimethoxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

ethyl 4-{6-tert-butyl-2-[(E)-[(2,5-dimethoxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

Formula: C31H36N2O5S

SMILES: CCOC(=O)C1=CC=C(NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC2=CC(OC)=CC=C2OC)C=C1

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

InChI: InChI=1/C31H36N2O5S/c1-7-38-30(35)19-8-11-22(12-9-19)33-28(34)27-24-14-10-21(31(2,3)4)17-26(24)39-29(27)32-18-20-16-23(36-5)13-15-25(20)37-6/h8-9,11-13,15-16,18,21H,7,10,14,17H2,1-6H3,(H,33,34)/b32-18+

Composition: C (67.86%), H (6.61%), N (5.11%), O (14.58%), S (5.84%)

Molar Mass: 548.7

Atom Count: 75

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	548.234493441
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GBKCLLAVKCJNLE-KCSSXMTENA-N
Lipinski's Rule of Five
Molar Refractivity	158.48
Topological Polar Surface Area	86.22
Polarizability	58.89
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H36N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00