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1246965-91-2 | Thieno[2,3-c]pyridine-3-carboxamide, 6-(1H-benzotriazol-6-ylcarbonyl)-2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-
CAS No: 1246965-91-2 Catalog No: AG000MMJ MDL No:MFCD22419405
Product Description
Catalog Number:
AG000MMJ
Chemical Name:
Thieno[2,3-c]pyridine-3-carboxamide, 6-(1H-benzotriazol-6-ylcarbonyl)-2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-
CAS Number:
1246965-91-2
Molecular Formula:
C22H18ClN7O3S
Molecular Weight:
495.9414
MDL Number:
MFCD22419405
IUPAC Name:
6-(2H-benzotriazole-5-carbonyl)-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
InChI:
InChI=1S/C22H18ClN7O3S/c23-12-2-4-13(5-3-12)25-22(33)26-20-18(19(24)31)14-7-8-30(10-17(14)34-20)21(32)11-1-6-15-16(9-11)28-29-27-15/h1-6,9H,7-8,10H2,(H2,24,31)(H2,25,26,33)(H,27,28,29)
InChI Key:
NZZMTIMCTDSMLQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1sc2c(c1C(=O)N)CCN(C2)C(=O)c1ccc2c(c1)[nH]nn2)Nc1ccc(cc1)Cl
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.088g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
495.942g/mol
Monoisotopic Mass:
495.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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