ChemDB: Chemical Search
Download
Chemical ID: 5312537
Chemical ID:
5312537
Name [?]:
3-hydroxy-N-[(4-isobutoxyphenyl)methyleneamino]naphthalene-2-carboxamide
SMILES [?]:
CC(C)COc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C22H22N2O3/c1-15(2)14-27-19-9-7-16(8-10-19)13-23-24-22(26)20-11-17-5-3-4-6-18(17)12-21(20)25/h3-13,15,25H,14H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,20,23,8,10,7,11,18,25,12,4,2,9,19,24,6,17,26,15,13,14,27,16,5/E:(1,2)(7,8)(9,10)/rA:27nCCCCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;d18;s19;d20;s21;d22;s19s23;d24;d17s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22852 |
Area: | 588.851 |
Solvation: | -5.49275 |
Coulombic: | -43.9882 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.28 |
LogP (Chemaxon): | 5.57 |
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 |
---|