ChemDB: Chemical Search
Download
Chemical ID: 6631694
Chemical ID:
6631694
Name [?]:
N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
COc1ccccc1C=NNC(=O)CNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H19N3O3/c1-27-19-12-5-3-8-16(19)13-23-24-20(25)14-22-21(26)18-11-6-9-15-7-2-4-10-17(15)18/h2-13H,14H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,6,25,5,20,27,7,21,24,19,4,9,14,22,8,23,18,3,12,16,15,10,11,13,17,2/rA:27nCOCCCCCCCNNCOCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74613 |
Area: | 588.567 |
Solvation: | -4.96803 |
Coulombic: | -50.081 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.394 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.35 |
LogP (Chemaxon): | 2.92 |
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 |
---|