ChemDB: Chemical Search
Download
Chemical ID: 6964371
Chemical ID:
6964371
Name [?]:
2-(4-methoxyphenyl)amino-N-(2-naphthylmethyleneamino)acetamide
SMILES [?]:
COc1ccc(cc1)NCC(=O)NN=Cc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H19N3O2/c1-25-19-10-8-18(9-11-19)21-14-20(24)23-22-13-15-6-7-16-4-2-3-5-17(16)12-15/h2-13,21H,14H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,17,18,5,7,4,8,25,15,10,16,19,24,6,3,11,9,14,13,12,2/E:(8,9)(10,11)/rA:25nCOCCCCCCNCCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02046 |
Area: | 581.868 |
Solvation: | -5.52625 |
Coulombic: | -38.5508 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|