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1458031-48-5 | 2-(2-methylbutylamino)-1-[4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CAS No: 1458031-48-5 Catalog No: AG01FGAA MDL No:
Product Description
Catalog Number:
AG01FGAA
Chemical Name:
2-(2-methylbutylamino)-1-[4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CAS Number:
1458031-48-5
Molecular Formula:
C20H27N3OS
Molecular Weight:
357.5129
IUPAC Name:
2-(2-methylbutylamino)-1-[4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;dihydrochloride
InChI:
InChI=1S/C20H27N3OS.2ClH/c1-4-14(2)12-21-13-19(24)23-10-8-18-16(9-11-25-18)20(23)17-7-5-6-15(3)22-17;;/h5-7,9,11,14,20-21H,4,8,10,12-13H2,1-3H3;2*1H
InChI Key:
TUDOZEOETHEGCR-UHFFFAOYSA-N
SMILES:
CCC(CNCC(=O)N1CCc2c(C1c1cccc(n1)C)ccs2)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.141g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
430.432g/mol
Monoisotopic Mass:
429.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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