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methyl (2R)-2-(2-chlorophenyl)-2-{4H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate; sulfuric acid

methyl (2R)-2-(2-chlorophenyl)-2-{4H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate; sulfuric acid

CAS: 120202-71-3

Formula: C16H18ClNO6S2

SMILES: OS(O)(=O)=O.COC(=O)[C@H](N1CCC2=C(C1)C=CS2)C1=C(Cl)C=CC=C1

IUPAC: methyl (2R)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate; sulfuric acid

InChI: InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1

Composition: C (45.77%), H (4.32%), Cl (8.44%), N (3.34%), O (22.86%), S (15.27%)

Molar Mass: 419.89

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 419.0264074
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FDEODCTUSIWGLK-XFULWGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.93
Topological Polar Surface Area 29.54
Polarizability 32.98
Ring Count 3
Rotatable Bond Count 4

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