Chemical ID: 7217996

Cn1c2c(cn1)c3nc(nn3cn2)c4ccc(cc4)COc5ccc6ccccc6c5
Chemical ID:
7217996
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)c4ccc(cc4)COc5ccc6ccccc6c5
InChi [?]:
InChI=1/C24H18N6O/c1-29-23-21(13-26-29)24-27-22(28-30(24)15-25-23)18-8-6-16(7-9-18)14-31-20-11-10-17-4-2-3-5-19(17)12-20/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,29,16,18,15,19,24,23,31,5,20,12,17,25,14,30,22,4,9,3,7,13,6,8,10,2,11,21/E:(6,7)(8,9)/rA:31nCNCCCNCNCNNCNCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;s25;d26;s27;d28;d25s29;d22s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N6O
All Atoms:49
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9795
Area:637.197
Solvation:-3.95048
Coulombic:-32.2068
Bond Count [?]
All:36
Single:23
Double:13
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:406.44
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.78
LogP (Chemaxon):4.77

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