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Chemical ID: 7479329
Chemical ID:
7479329
Name [?]:
N-[1-(4-aminophenyl)ethylideneamino]-4-benzyloxy-benzamide
SMILES [?]:
CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)N
InChi [?]:
InChI=1/C22H21N3O2/c1-16(18-7-11-20(23)12-8-18)24-25-22(26)19-9-13-21(14-10-19)27-15-17-5-3-2-4-6-17/h2-14H,15,23H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,22,26,8,12,23,25,9,11,14,2,15,21,7,24,10,5,27,3,4,6,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCNNCOCCCCCCOCCCCCCCCCCCCCN/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O2 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6103 |
Area: | 620.015 |
Solvation: | -4.89008 |
Coulombic: | -45.3054 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.421 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.95 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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