Chemical ID: 6504334

C(CC(=O)O)C(=O)Nc1nnc(s1)S(=O)(=O)N
Chemical ID:
6504334
Name [?]:
4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
SMILES [?]:
C(CC(=O)O)C(=O)Nc1nnc(s1)S(=O)(=O)N
InChi [?]:
InChI=1/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,12,17,8,10,11,7,4,5,15,16,13,14/E:(12,13)(14,15)/CRV:17.6/rA:17nCCCOOCONCNNCSSOON/rB:s1;s2;d3;s3;s1;d6;s6;s8;d9;s10;d11;s9s12;s12;d14;d14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N4O5S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.84146
Area:451.945
Solvation:-4.45717
Coulombic:-65.3067
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.284
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-1.61
LogP (Chemaxon):-1.37

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Descriptor Annotations

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