Chemical ID: 4652174

CCOc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)C(C)C
Chemical ID:
4652174
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)C(C)C
InChi [?]:
InChI=1/C27H28N2O2/c1-4-30-22-15-13-20(14-16-22)24-17-25-23-7-5-6-8-26(23)31-27(29(25)28-24)21-11-9-19(10-12-21)18(2)3/h5-16,18,25,27H,4,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,17,18,16,19,25,27,24,28,6,8,5,9,14,29,26,7,23,4,15,10,13,20,22,11,12,3,21/E:(2,3)(9,10)(11,12)(13,14)(15,16)/rA:31cCCOCCCCCCCNNCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s12s21;s22;s23;d24;s25;d26;d23s27;s26;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:11.9198
Area:652.473
Solvation:-4.392
Coulombic:-24.4434
Bond Count [?]
All:35
Single:25
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.523
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.15
LogP (Chemaxon):6.35

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