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1307248-45-8 | Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 2'-chloro-4',5'-dihydro-, 1,1-diMethylethyl ester
CAS No: 1307248-45-8 Catalog No: AG000UV8 MDL No:
Product Description
Catalog Number:
AG000UV8
Chemical Name:
Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 2'-chloro-4',5'-dihydro-, 1,1-diMethylethyl ester
CAS Number:
1307248-45-8
Molecular Formula:
C16H22ClNO3S
Molecular Weight:
343.8688
IUPAC Name:
tert-butyl 2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C16H22ClNO3S/c1-15(2,3)21-14(19)18-7-5-16(6-8-18)13-11(4-9-20-16)10-12(17)22-13/h10H,4-9H2,1-3H3
InChI Key:
PEWMVDIBIRMSAC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCCc1c2sc(c1)Cl)OC(C)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.866g/mol
Monoisotopic Mass:
343.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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