ethyl 2-(4-chloro-2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-(4-chloro-2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C18H17ClN2O5S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(Cl)C=C2[N+]([O-])=O)SC2=C1CCCC2

IUPAC: ethyl 2-(4-chloro-2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)15-12-5-3-4-6-14(12)27-17(15)20-16(22)11-8-7-10(19)9-13(11)21(24)25/h7-9H,2-6H2,1H3,(H,20,22)

Composition: C (52.88%), H (4.19%), Cl (8.67%), N (6.85%), O (19.57%), S (7.84%)

Molar Mass: 408.85

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	408.0546705
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LOCAWJXUWZHQLK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.18
Topological Polar Surface Area	98.54
Polarizability	38.27
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17ClN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00