Chemical ID: 4559414

CN(C)CCn1cnc2c3cc(ccc3[nH]c2c1=O)OC
Chemical ID:
4559414
Name [?]:
None
SMILES [?]:
CN(C)CCn1cnc2c3cc(ccc3[nH]c2c1=O)OC
InChi [?]:
InChI=1/C15H18N4O2/c1-18(2)6-7-19-9-16-13-11-8-10(21-3)4-5-12(11)17-14(13)15(19)20/h4-5,8-9,17H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,21,13,14,4,5,11,7,12,10,15,9,17,18,8,16,2,6,19,20/E:(1,2)/rA:21nCNCCCNCNCCCCCCCNCCOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d9s16;s6s17;d18;s12;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.53005
Area:477.831
Solvation:-3.41573
Coulombic:-45.7846
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.329
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.1
LogP (Chemaxon):1.3

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