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

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

Formula: C27H29FN2OS

SMILES: CC1=CC=CC=C1NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)N=CC1=CC=C(F)C=C1

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

InChI: InChI=1/C27H29FN2OS/c1-17-7-5-6-8-22(17)30-25(31)24-21-14-11-19(27(2,3)4)15-23(21)32-26(24)29-16-18-9-12-20(28)13-10-18/h5-10,12-13,16,19H,11,14-15H2,1-4H3,(H,30,31)/b29-16+

Composition: C (72.29%), H (6.52%), F (4.24%), N (6.24%), O (3.57%), S (7.15%)

Molar Mass: 448.6

Atom Count: 61

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	448.198462899
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZJIQKEVCHBYUGA-MUFRIFMGNA-N
Lipinski's Rule of Five
Molar Refractivity	134.04
Topological Polar Surface Area	41.46
Polarizability	49
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29FN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00