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Chemical ID: 6181618
Chemical ID:
6181618
Name [?]:
5-bromo-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nnc(s2)NC(=O)c3cc(ccc3Cl)Br
InChi [?]:
InChI=1/C15H9BrClN3OS/c16-10-6-7-12(17)11(8-10)13(21)18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8H,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,16,4,17,15,20,13,7,10,22,21,12,8,9,14,11/E:(2,3)(4,5)/rA:22nCCCCCCCNNCSNCOCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9BrClN3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3736 |
Area: | 535.749 |
Solvation: | -3.02016 |
Coulombic: | -27.4548 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.674 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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