Chemical ID: 4652755

CCSc1nc2c(c3c(s2)COC(C3)(C)C)c4n1c(nn4)C
Chemical ID:
4652755
Name [?]:
None
SMILES [?]:
CCSc1nc2c(c3c(s2)COC(C3)(C)C)c4n1c(nn4)C
InChi [?]:
InChI=1/C15H18N4OS2/c1-5-21-14-16-13-11(12-18-17-8(2)19(12)14)9-6-15(3,4)20-7-10(9)22-13/h5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,15,16,2,14,11,19,8,9,7,17,6,4,13,5,20,21,18,12,3,10/E:(3,4)/rA:22nCCSCNCCCCSCOCCCCCNCNNC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s13;s13;s7;s4s17;s18;d19;d17s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1808
Area:500.337
Solvation:-2.3276
Coulombic:-25.5111
Bond Count [?]
All:25
Single:20
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.462
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.25
LogP (Chemaxon):2.24

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