Chemical ID: 7678616

Cc1ccc(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
Chemical ID:
7678616
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H17ClN6O2/c1-12-6-7-16(13(2)8-12)23-17(28)10-26-11-22-19-18(20(26)29)24-25-27(19)15-5-3-4-14(21)9-15/h3-9,11H,10H2,1-2H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,8,25,26,24,3,4,7,28,12,14,2,6,27,23,5,10,17,16,18,29,15,9,20,21,13,22,11,19/rA:29nCCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN6O2
All Atoms:46
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:11.7969
Area:627.738
Solvation:-3.89658
Coulombic:-48.6563
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.49
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