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Chemical ID: 6964364
Chemical ID:
6964364
Name [?]:
2-(4-methoxyphenyl)amino-N-(1-naphthylmethyleneamino)acetamide
SMILES [?]:
COc1ccc(cc1)NCC(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H19N3O2/c1-25-18-11-9-17(10-12-18)21-14-20(24)23-22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-13,21H,14H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,17,22,5,7,4,8,15,10,20,16,6,3,21,11,9,14,13,12,2/E:(9,10)(11,12)/rA:25nCOCCCCCCNCCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69994 |
Area: | 564.63 |
Solvation: | -5.4158 |
Coulombic: | -38.842 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.384 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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