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Chemical ID: 6179257
Chemical ID:
6179257
Name [?]:
2,5-dichloro-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2nnc(s2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C15H7Cl4N3OS/c16-7-2-4-11(18)10(5-7)13(23)20-15-22-21-14(24-15)9-3-1-8(17)6-12(9)19/h1-6H,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,2,21,18,5,19,6,3,17,22,4,15,9,12,24,7,23,8,14,10,11,16,13/rA:24nCCCCCCClClCNNCSNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H7Cl4N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7576 |
Area: | 593.308 |
Solvation: | -3.07508 |
Coulombic: | -27.451 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 419.112 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.67 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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