ChemDB: Chemical Search
Download
Chemical ID: 6445733
Chemical ID:
6445733
Name [?]:
[2-methoxy-5-[(4-methoxybenzoyl)aminoiminomethyl]phenyl] benzoate
SMILES [?]:
COc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC(=O)c3ccccc3)OC
InChi [?]:
InChI=1/C23H20N2O5/c1-28-19-11-9-17(10-12-19)22(26)25-24-15-16-8-13-20(29-2)21(14-16)30-23(27)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,30,26,25,27,24,28,15,5,7,4,8,16,19,13,14,6,23,3,17,18,9,21,12,11,10,22,2,29,20/E:(4,5)(6,7)(9,10)(11,12)/rA:30nCOCCCCCCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s17;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64121 |
Area: | 641.146 |
Solvation: | -6.38743 |
Coulombic: | -55.2154 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.06 |
LogP (Chemaxon): | 3.97 |
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 |
---|