methyl 2-[(E)-[(2-hydroxy-5-nitrophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[(E)-[(2-hydroxy-5-nitrophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C17H16N2O5S

SMILES: COC(=O)C1=C(SC2=C1CCCC2)N=CC1=CC(=CC=C1O)[N+]([O-])=O

IUPAC: methyl 2-[(E)-[(2-hydroxy-5-nitrophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C17H16N2O5S/c1-24-17(21)15-12-4-2-3-5-14(12)25-16(15)18-9-10-8-11(19(22)23)6-7-13(10)20/h6-9,20H,2-5H2,1H3/b18-9+

Composition: C (56.66%), H (4.48%), N (7.77%), O (22.20%), S (8.90%)

Molar Mass: 360.38

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	360.077992797
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IQULCPLNTFUBDS-GIJQJNRQSA-N
Lipinski's Rule of Five
Molar Refractivity	95.4
Topological Polar Surface Area	102.03
Polarizability	34.62
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00