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1255529-27-1 | Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]-
CAS No: 1255529-27-1 Catalog No: AG000NTJ MDL No:
Product Description
Catalog Number:
AG000NTJ
Chemical Name:
Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]-
CAS Number:
1255529-27-1
Molecular Formula:
C24H30ClN7O4S
Molecular Weight:
548.0575
IUPAC Name:
N'-(5-chloropyridin-2-yl)-N-[(1S,2S,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
InChI:
InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17-/m0/s1
InChI Key:
HGVDHZBSSITLCT-QRTARXTBSA-N
SMILES:
CN1CCc2c(C1)sc(n2)C(=O)N[C@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
547.177g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
548.059g/mol
Monoisotopic Mass:
547.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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