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124841-05-0 | Butanoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, 2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
CAS No: 124841-05-0 Catalog No: AG000MTB MDL No:
Product Description
Catalog Number:
AG000MTB
Chemical Name:
Butanoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, 2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
CAS Number:
124841-05-0
Molecular Formula:
C14H16N6O6S2
Molecular Weight:
428.4434
IUPAC Name:
methyl N-[4-[[[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
InChI:
InChI=1S/C14H16N6O6S2/c1-26-14(23)16-9-2-4-10(5-3-9)28(24,25)20-18-12(22)7-6-11(21)17-13-19-15-8-27-13/h2-5,8,20H,6-7H2,1H3,(H,16,23)(H,18,22)(H,17,19,21)
InChI Key:
IYEWCTWAUTXHRP-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)CCC(=O)Nc1nncs1
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.057g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
428.438g/mol
Monoisotopic Mass:
428.057g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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