ChemDB: Chemical Search
Download
Chemical ID: 5590288
Chemical ID:
5590288
Name [?]:
2-(4-chlorobenzoyl)amino-N-[(3,4-dimethoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)c2ccccc2NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H20ClN3O4/c1-30-20-12-7-15(13-21(20)31-2)14-25-27-23(29)18-5-3-4-6-19(18)26-22(28)16-8-10-17(24)11-9-16/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,10,18,19,17,20,5,26,30,27,29,4,7,11,6,25,28,16,21,3,8,23,14,31,12,22,13,24,15,2,9/E:(8,9)(10,11)/rA:31nCOCCCCCCOCCNNCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClN3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5253 |
Area: | 663.752 |
Solvation: | -7.06849 |
Coulombic: | -56.3166 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 437.875 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.96 |
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 |
---|