Chemical ID: 6177696

c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(cc3Cl)Cl
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

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