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1307248-48-1 | Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 2'-chloro-4',4'-difluoro-4',5'-dihydro-, 1,1-dimethylethyl ester
CAS No: 1307248-48-1 Catalog No: AG000UV7 MDL No:
Product Description
Catalog Number:
AG000UV7
Chemical Name:
Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 2'-chloro-4',4'-difluoro-4',5'-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1307248-48-1
Molecular Formula:
C16H20ClF2NO3S
Molecular Weight:
379.8497
IUPAC Name:
tert-butyl 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C16H20ClF2NO3S/c1-14(2,3)23-13(21)20-6-4-15(5-7-20)12-10(8-11(17)24-12)16(18,19)9-22-15/h8H,4-7,9H2,1-3H3
InChI Key:
CJZBPDGXEFFTMB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)OC(C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.847g/mol
Monoisotopic Mass:
379.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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