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82843-14-9 | 3-ETHYL-2-HYDROXY-5-(ISOBUTYLAMINO)-7,7-DIMETHYL-6,7-DIHYDRO-4H-THIOPYRANO[2,3-B]PYRIDIN-4-ONE
CAS No: 82843-14-9 Catalog No: AG0055OM MDL No:
Product Description
Catalog Number:
AG0055OM
Chemical Name:
3-ETHYL-2-HYDROXY-5-(ISOBUTYLAMINO)-7,7-DIMETHYL-6,7-DIHYDRO-4H-THIOPYRANO[2,3-B]PYRIDIN-4-ONE
CAS Number:
82843-14-9
Molecular Formula:
C16H26N2O2S
Molecular Weight:
310.4548
IUPAC Name:
3-ethyl-2-hydroxy-7,7-dimethyl-5-(2-methylpropylimino)-6,8-dihydrothiopyrano[2,3-b]pyridin-4-one
InChI:
InChI=1S/C16H24N2O2S/c1-6-10-13(19)12-11(17-8-9(2)3)7-16(4,5)18-14(12)21-15(10)20/h9,18,20H,6-8H2,1-5H3
InChI Key:
RQHZWUBJAOVEQH-UHFFFAOYSA-N
SMILES:
CCC1C(O)SC2=NC(CC(=C2C1=O)NCC(C)C)(C)C
UNII:
SM7M32GG2A
NSC Number:
372801
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.156g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.44g/mol
Monoisotopic Mass:
308.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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