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Chemical ID: 5841592
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
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Experimental Annotations
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Descriptor Annotations
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