Chemical ID: 4184943

c1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
4184943
Name [?]:
2,4-dichloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H9Cl2N3OS/c16-10-6-7-11(12(17)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:1,2,6,3,5,17,16,19,4,18,15,20,13,7,10,22,21,12,8,9,14,11/E:(2,3)(4,5)/rA:22nCCCCCCCNNCSNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;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:10.3913
Area:540.434
Solvation:-3.11958
Coulombic:-27.6705
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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Descriptor Annotations

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