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

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

Formula: C18H17BrN2O5S

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

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

InChI: InChI=1S/C18H17BrN2O5S/c1-2-26-18(23)15-12-5-3-4-6-14(12)27-17(15)20-9-10-7-11(21(24)25)8-13(19)16(10)22/h7-9,22H,2-6H2,1H3/b20-9+

Composition: C (47.69%), H (3.78%), Br (17.63%), N (6.18%), O (17.65%), S (7.07%)

Molar Mass: 453.31

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	452.004156
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZLEQEMOLQQZHTM-AWQFTUOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.77
Topological Polar Surface Area	102.03
Polarizability	39.38
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17BrN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00