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

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

Formula: C27H26F3N3O3S

SMILES: CC(C)(C)C1CCC2=C(C1)SC(N=CC1=CC=CC(=C1)[N+]([O-])=O)=C2C(=O)NC1=CC=CC(=C1)C(F)(F)F

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

InChI: InChI=1/C27H26F3N3O3S/c1-26(2,3)17-10-11-21-22(14-17)37-25(31-15-16-6-4-9-20(12-16)33(35)36)23(21)24(34)32-19-8-5-7-18(13-19)27(28,29)30/h4-9,12-13,15,17H,10-11,14H2,1-3H3,(H,32,34)/b31-15+

Composition: C (61.24%), H (4.95%), F (10.76%), N (7.93%), O (9.06%), S (6.05%)

Molar Mass: 529.58

Atom Count: 63

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	529.164697372
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MIMDHFCIKGMUQT-IBBHUPRXNA-N
Lipinski's Rule of Five
Molar Refractivity	141.07
Topological Polar Surface Area	84.6
Polarizability	50.52
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26F3N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00