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Chemical ID: 6179099
Chemical ID:
6179099
Name [?]:
2,4-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(ccc1c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C15H8Cl3N3OS/c16-9-3-1-8(2-4-9)14-20-21-15(23-14)19-13(22)11-6-5-10(17)7-12(11)18/h1-7H,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,16,19,6,3,18,15,20,13,7,10,23,22,21,12,8,9,14,11/E:(1,2)(3,4)/rA:23nCCCCCCCNNCSNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8Cl3N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2249 |
Area: | 575.301 |
Solvation: | -3.15761 |
Coulombic: | -27.6268 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.668 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.05 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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