Chemical ID: 6261283

Cc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
Chemical ID:
6261283
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
InChi [?]:
InChI=1/C17H13N3OS2/c1-9-3-5-11(6-4-9)16(21)20-17-19-12-7-8-13-14(15(12)23-17)18-10(2)22-13/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,14,15,2,21,5,13,16,17,18,8,11,20,12,10,9,22,19/E:(3,4)(5,6)/rA:23nCCCCCCCCONCNCCCCCCSNCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s17;d20;s16s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7191
Area:532.497
Solvation:-2.59335
Coulombic:-33.2418
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.437
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):5.01

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