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Chemical ID: 6155677
Chemical ID:
6155677
Name [?]:
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)Cc2nnc(s2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C17H17N3O4S2/c1-23-14-9-8-12(10-15(14)24-2)11-16-18-19-17(25-16)20-26(21,22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,25,22,26,5,4,7,11,6,21,3,8,12,15,13,14,17,19,20,2,9,16,18/E:(4,5)(6,7)(21,22)/CRV:26.6/rA:26nCOCCCCCCOCCCNNCSNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s12s15;s15;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51017 |
Area: | 587.043 |
Solvation: | -6.1659 |
Coulombic: | -31.2128 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 391.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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