6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C30H37N3O3S

SMILES: COC1=CC=C(NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC2=CC=C(C=C2)N(C)C)C(OC)=C1

IUPAC: 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C30H37N3O3S/c1-30(2,3)20-10-14-23-26(16-20)37-29(31-18-19-8-11-21(12-9-19)33(4)5)27(23)28(34)32-24-15-13-22(35-6)17-25(24)36-7/h8-9,11-13,15,17-18,20H,10,14,16H2,1-7H3,(H,32,34)/b31-18+

Composition: C (69.33%), H (7.18%), N (8.09%), O (9.24%), S (6.17%)

Molar Mass: 519.7

Atom Count: 74

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	519.255563237
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DQIGVLGCWGWGKQ-FDAWAROLNA-N
Lipinski's Rule of Five
Molar Refractivity	156.14
Topological Polar Surface Area	63.16
Polarizability	57.45
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H37N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00