Chemical ID: 6854169

CCc1ccc2c(c1)c(=NCc3ccccc3)cc(o2)c4ccc(cc4)OC
Chemical ID:
6854169
Name [?]:
N-benzyl-6-ethyl-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
CCc1ccc2c(c1)c(=NCc3ccccc3)cc(o2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H23NO2/c1-3-18-9-14-24-22(15-18)23(26-17-19-7-5-4-6-8-19)16-25(28-24)20-10-12-21(27-2)13-11-20/h4-16H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,15,14,16,13,17,4,22,26,23,25,5,8,18,11,3,12,21,24,7,9,6,19,10,27,20/E:(5,6)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCNCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s9;d18;s6s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NO2
All Atoms:51
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4431
Area:609.069
Solvation:-3.78362
Coulombic:-24.1512
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.456
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.02
LogP (Chemaxon):6.42

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