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Chemical ID: 6490210
Chemical ID:
6490210
Name [?]:
4-benzyloxy-N-(1-naphthylmethyleneamino)benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3cccc4c3cccc4
InChi [?]:
InChI=1/C25H20N2O2/c28-25(27-26-17-22-11-6-10-20-9-4-5-12-24(20)22)21-13-15-23(16-14-21)29-18-19-7-2-1-3-8-19/h1-17H,18H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,22,3,5,29,23,21,26,11,13,10,14,19,7,4,24,12,20,9,25,15,18,17,16,8/E:(2,3)(7,8)(13,14)(15,16)/rA:29nCCCCCCCOCCCCCCCONNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9548 |
Area: | 620.207 |
Solvation: | -4.5504 |
Coulombic: | -30.8612 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.88 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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