methyl 3-[(2-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[(2-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

CAS: 338419-37-7

Formula: C16H12ClNO3S

SMILES: COC(=O)C1=C(OCC2=C(Cl)C=CC=C2)C2=CC=CN=C2S1

IUPAC: methyl 3-[(2-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

InChI: InChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(11-6-4-8-18-15(11)22-14)21-9-10-5-2-3-7-12(10)17/h2-8H,9H2,1H3

Composition: C (57.57%), H (3.62%), Cl (10.62%), N (4.20%), O (14.38%), S (9.60%)

Molar Mass: 333.79

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	333.0226421
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NKGSCPADZMBOQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.88
Topological Polar Surface Area	48.42
Polarizability	33.39
Ring Count	3
Rotatable Bond Count	5

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