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Chemical ID: 6414580
Chemical ID:
6414580
Name [?]:
4-benzyloxy-N-[(4-pentoxyphenyl)methyleneamino]benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O3/c1-2-3-7-18-30-24-14-10-21(11-15-24)19-27-28-26(29)23-12-16-25(17-13-23)31-20-22-8-5-4-6-9-22/h4-6,8-17,19H,2-3,7,18,20H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,29,28,30,4,27,31,9,11,19,23,8,12,20,22,5,13,25,10,26,18,7,21,16,14,15,17,6,24/E:(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:31nCCCCCOCCCCCCCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9773 |
Area: | 707.31 |
Solvation: | -5.70549 |
Coulombic: | -37.5407 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 416.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.45 |
LogP (Chemaxon): | 6.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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