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

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

Formula: C27H29N3O4S

SMILES: COC1=CC=C(NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC2=CC=CC(=C2)[N+]([O-])=O)C=C1

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

InChI: InChI=1/C27H29N3O4S/c1-27(2,3)18-8-13-22-23(15-18)35-26(28-16-17-6-5-7-20(14-17)30(32)33)24(22)25(31)29-19-9-11-21(34-4)12-10-19/h5-7,9-12,14,16,18H,8,13,15H2,1-4H3,(H,29,31)/b28-16+

Composition: C (65.97%), H (5.95%), N (8.55%), O (13.02%), S (6.52%)

Molar Mass: 491.61

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	491.1878776
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OVFGHGVVUYDXFH-LQKURTRINA-N
Lipinski's Rule of Five
Molar Refractivity	141.56
Topological Polar Surface Area	93.83
Polarizability	51.97
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00