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

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

Formula: C27H37N5O5S

SMILES: CC(C)(C)C1CCC2=C(C1)SC(NC(=O)CNCCN1CCOCC1)=C2C(=O)NC1=CC=CC(=C1)[N+]([O-])=O

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

InChI: InChI=1/C27H37N5O5S/c1-27(2,3)18-7-8-21-22(15-18)38-26(30-23(33)17-28-9-10-31-11-13-37-14-12-31)24(21)25(34)29-19-5-4-6-20(16-19)32(35)36/h4-6,16,18,28H,7-15,17H2,1-3H3,(H,29,34)(H,30,33)

Composition: C (59.65%), H (6.86%), N (12.88%), O (14.71%), S (5.90%)

Molar Mass: 543.68

Atom Count: 75

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	543.251540485
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	ZLHLCPMXCYGBMC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	149.86
Topological Polar Surface Area	125.84
Polarizability	56.31
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H37N5O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00