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Chemical ID: 6179050
Chemical ID:
6179050
Name [?]:
2,4-dichloro-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3OS/c1-9-3-2-4-10(7-9)15-20-21-16(23-15)19-14(22)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,17,7,20,2,6,19,16,21,14,8,11,23,22,13,9,10,15,12/rA:23nCCCCCCCCNNCSNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Cl2N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8115 |
Area: | 556.887 |
Solvation: | -3.11068 |
Coulombic: | -27.4339 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.86 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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