Chemical ID: 5841592

CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)C(C)(C)C
Chemical ID:
5841592
Name [?]:
4-benzyloxy-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
SMILES [?]:
CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C26H28N2O2/c1-19(21-10-14-23(15-11-21)26(2,3)4)27-28-25(29)22-12-16-24(17-13-22)30-18-20-8-6-5-7-9-20/h5-17H,18H2,1-4H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,29,30,18,17,19,16,20,22,26,8,12,23,25,9,11,14,2,15,21,7,24,10,5,27,3,4,6,13/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:30nCCNNCOCCCCCCOCCCCCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s24;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4154
Area:682.247
Solvation:-4.64079
Coulombic:-30.5518
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:400.513
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.58
LogP (Chemaxon):6.03

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