Chemical ID: 7725113

Cc1ccccc1CSc2ccc3nnc(n3n2)c4cccnc4
Chemical ID:
7725113
Name [?]:
None
SMILES [?]:
Cc1ccccc1CSc2ccc3nnc(n3n2)c4cccnc4
InChi [?]:
InChI=1/C18H15N5S/c1-13-5-2-3-6-15(13)12-24-17-9-8-16-20-21-18(23(16)22-17)14-7-4-10-19-11-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,21,3,6,20,12,11,22,24,8,2,19,7,13,10,16,23,14,15,18,17,9/rA:24nCCCCCCCCSCCCCNNCNNCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s13s16;d10s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N5S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:11.0613
Area:531.511
Solvation:-2.22646
Coulombic:-18.0499
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.48
LogP (Chemaxon):None

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