Chemical ID: 6179099

c1cc(ccc1c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl)Cl
Chemical ID:
6179099
Name [?]:
2,4-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(ccc1c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C15H8Cl3N3OS/c16-9-3-1-8(2-4-9)14-20-21-15(23-14)19-13(22)11-6-5-10(17)7-12(11)18/h1-7H,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,16,19,6,3,18,15,20,13,7,10,23,22,21,12,8,9,14,11/E:(1,2)(3,4)/rA:23nCCCCCCCNNCSNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8Cl3N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2249
Area:575.301
Solvation:-3.15761
Coulombic:-27.6268
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.668
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.05
LogP (Chemaxon):4.87

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