6-tert-butyl-N-(3-chlorophenyl)-2-[(E)-[(2-ethoxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-N-(3-chlorophenyl)-2-[(E)-[(2-ethoxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C28H31ClN2O2S

SMILES: CCOC1=CC=CC=C1C=NC1=C(C(=O)NC2=CC=CC(Cl)=C2)C2=C(CC(CC2)C(C)(C)C)S1

IUPAC: 6-tert-butyl-N-(3-chlorophenyl)-2-[(E)-[(2-ethoxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C28H31ClN2O2S/c1-5-33-23-12-7-6-9-18(23)17-30-27-25(26(32)31-21-11-8-10-20(29)16-21)22-14-13-19(28(2,3)4)15-24(22)34-27/h6-12,16-17,19H,5,13-15H2,1-4H3,(H,31,32)/b30-17+

Composition: C (67.93%), H (6.31%), Cl (7.16%), N (5.66%), O (6.46%), S (6.48%)

Molar Mass: 495.08

Atom Count: 65

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	494.1794771
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BKOXHMUNFFMCES-OCSSWDANNA-N
Lipinski's Rule of Five
Molar Refractivity	144.8
Topological Polar Surface Area	50.69
Polarizability	53.81
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31ClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00