ChemDB: Chemical Search
Download
Chemical ID: 6504334
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|