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Chemical ID: 5506068
Chemical ID:
5506068
Name [?]:
3-(dimethylsulfamoyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
CC(C)Cc1nnc(s1)NC(=O)c2cccc(c2)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C15H20N4O3S2/c1-10(2)8-13-17-18-15(23-13)16-14(20)11-6-5-7-12(9-11)24(21,22)19(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,23,24,15,14,16,4,18,2,13,17,5,11,8,10,6,7,22,12,20,21,9,19/E:(1,2)(3,4)(21,22)/CRV:24.6/rA:24nCCCCCNNCSNCOCCCCCCSOONCC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;d19;s19;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N4O3S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5409 |
Area: | 580.504 |
Solvation: | -3.97171 |
Coulombic: | -32.1264 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.476 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.92 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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