N-(2,4-dimethoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C25H25N3O5S

SMILES: COC1=CC=C(NC(=O)C2=C(SC3=C2CCCCC3)N=CC2=CC=CC(=C2)[N+]([O-])=O)C(OC)=C1

IUPAC: N-(2,4-dimethoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C25H25N3O5S/c1-32-18-11-12-20(21(14-18)33-2)27-24(29)23-19-9-4-3-5-10-22(19)34-25(23)26-15-16-7-6-8-17(13-16)28(30)31/h6-8,11-15H,3-5,9-10H2,1-2H3,(H,27,29)/b26-15+

Composition: C (62.62%), H (5.25%), N (8.76%), O (16.68%), S (6.69%)

Molar Mass: 479.55

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	479.151492091
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YAHBMKUTFGMWAL-CVKSISIWSA-N
Lipinski's Rule of Five
Molar Refractivity	134.45
Topological Polar Surface Area	103.06
Polarizability	49
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00