Chemical ID: 4683982

c1ccc2c(c1)nnn2Cn3ccccc3=NC=C4CCCCC4
Chemical ID:
4683982
Name [?]:
1-(benzotriazol-1-ylmethyl)-N-(cyclohexylidenemethyl)pyridin-2-imine
SMILES [?]:
c1ccc2c(c1)nnn2Cn3ccccc3=NC=C4CCCCC4
InChi [?]:
InChI=1/C19H21N5/c1-2-8-16(9-3-1)14-20-19-12-6-7-13-23(19)15-24-18-11-5-4-10-17(18)21-22-24/h4-7,10-14H,1-3,8-9,15H2
InChi Info:
AuxInfo=1/0/N:22,21,23,1,2,14,13,20,24,6,3,15,12,18,10,19,5,4,16,17,7,8,11,9/E:(2,3)(8,9)/rA:24nCCCCCCNNNCNCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;s11s15;w16;s17;d18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2778
Area:513.362
Solvation:-2.55622
Coulombic:-17.669
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:319.404
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.26
LogP (Chemaxon):4.66

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