6-tert-butyl-N-(2,4-dimethylphenyl)-2-(2-{[2-(morpholin-4-yl)ethyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-N-(2,4-dimethylphenyl)-2-(2-{[2-(morpholin-4-yl)ethyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C29H42N4O3S

SMILES: CC1=CC=C(NC(=O)C2=C(NC(=O)CNCCN3CCOCC3)SC3=C2CCC(C3)C(C)(C)C)C(C)=C1

IUPAC: 6-tert-butyl-N-(2,4-dimethylphenyl)-2-(2-{[2-(morpholin-4-yl)ethyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C29H42N4O3S/c1-19-6-9-23(20(2)16-19)31-27(35)26-22-8-7-21(29(3,4)5)17-24(22)37-28(26)32-25(34)18-30-10-11-33-12-14-36-15-13-33/h6,9,16,21,30H,7-8,10-15,17-18H2,1-5H3,(H,31,35)(H,32,34)

Composition: C (66.13%), H (8.04%), N (10.64%), O (9.11%), S (6.09%)

Molar Mass: 526.74

Atom Count: 79

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	526.297762402
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	ZOIFEHFGPJGZLB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	153.62
Topological Polar Surface Area	82.7
Polarizability	57.93
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H42N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00