Chemical ID: 6179050

Cc1cccc(c1)c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6179050
Name [?]:
2,4-dichloro-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3OS/c1-9-3-2-4-10(7-9)15-20-21-16(23-15)19-14(22)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,17,7,20,2,6,19,16,21,14,8,11,23,22,13,9,10,15,12/rA:23nCCCCCCCCNNCSNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Cl2N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8115
Area:556.887
Solvation:-3.11068
Coulombic:-27.4339
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.25
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.86
LogP (Chemaxon):4.82

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