Chemical ID: 6520706

c1cc(sc1)c2cc(c3c4c(c(nc(n4)N)N)sc3n2)c5ccc(cc5)Cl
Chemical ID:
6520706
Name [?]:
None
SMILES [?]:
c1cc(sc1)c2cc(c3c4c(c(nc(n4)N)N)sc3n2)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C19H12ClN5S2/c20-10-5-3-9(4-6-10)11-8-12(13-2-1-7-26-13)23-18-14(11)15-16(27-18)17(21)25-19(22)24-15/h1-8H,(H4,21,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,26,23,25,5,7,21,24,8,6,3,9,10,11,12,19,14,27,17,16,20,15,13,4,18/E:(3,4)(5,6)/rA:27nCCCSCCCCCCCCNCNNNSCNCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s14;s12;s11;d9s18;d6s19;s8;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12ClN5S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.7266
Area:581.769
Solvation:-1.81766
Coulombic:-53.5613
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:409.917
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):5.37

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