Chemical ID: 6181618

c1ccc(cc1)c2nnc(s2)NC(=O)c3cc(ccc3Cl)Br
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

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