Chemical ID: 6298965

Cc1cc(c(c(c1)C)COc2ccc(cc2OC)C3C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
Chemical ID:
6298965
Name [?]:
2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
SMILES [?]:
Cc1cc(c(c(c1)C)COc2ccc(cc2OC)C3C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChi [?]:
InChI=1/C30H30N4O2/c1-18-11-19(2)25(20(3)12-18)15-36-26-10-9-21(13-27(26)35-4)28-23-8-6-5-7-22(23)24(14-31)29(34)30(28,16-32)17-33/h7,9-13,23,28H,5-6,8,15,34H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,36,18,23,22,24,21,13,12,7,3,15,34,9,29,31,2,6,4,14,25,20,26,5,11,16,19,27,28,35,30,32,33,17,10/E:(2,3)(11,12)(16,17)(19,20)(32,33)/rA:36cCCCCCCCCCOCCCCCCOCCCCCCCCCCCCNCNNCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;s19;s20;s21;s22;s23;s20d24;s25;d26;s19s27;s28;t29;s28;t31;s27;s26;t34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N4O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:11.7258
Area:716.525
Solvation:-6.18737
Coulombic:-41.9635
Bond Count [?]
All:39
Single:28
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:478.585
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.39
LogP (Chemaxon):4.76

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