Chemical ID: 6179257

c1cc(c(cc1Cl)Cl)c2nnc(s2)NC(=O)c3cc(ccc3Cl)Cl
Chemical ID:
6179257
Name [?]:
2,5-dichloro-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2nnc(s2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C15H7Cl4N3OS/c16-7-2-4-11(18)10(5-7)13(23)20-15-22-21-14(24-15)9-3-1-8(17)6-12(9)19/h1-6H,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,2,21,18,5,19,6,3,17,22,4,15,9,12,24,7,23,8,14,10,11,16,13/rA:24nCCCCCCClClCNNCSNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H7Cl4N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.7576
Area:593.308
Solvation:-3.07508
Coulombic:-27.451
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:419.112
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.67
LogP (Chemaxon):5.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue