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Chemical ID: 6177696
Chemical ID:
6177696
Name [?]:
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H9Cl2N3OS/c16-10-6-7-11(12(17)8-10)14-19-20-15(22-14)18-13(21)9-4-2-1-3-5-9/h1-8H,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,16,19,4,18,15,20,7,13,10,22,21,9,12,11,8,14/E:(2,3)(4,5)/rA:22nCCCCCCCONCNNCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl2N3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5227 |
Area: | 538.984 |
Solvation: | -2.95193 |
Coulombic: | -28.106 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.223 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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