Chemical ID: 6138803

CCOc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4s3
Chemical ID:
6138803
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4s3
InChi [?]:
InChI=1/C18H16N4O2S2/c1-2-24-13-9-7-12(8-10-13)19-16(23)11-25-17-20-21-18-22(17)14-5-3-4-6-15(14)26-18/h3-10H,2,11H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,24,6,8,5,9,13,7,4,20,25,11,15,18,10,16,17,19,12,3,14,26/E:(7,8)(9,10)/rA:26nCCOCCCCCCNCOCSCNNCNCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2018
Area:594.39
Solvation:-3.65796
Coulombic:-41.2474
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.477
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):3.85

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