ChemDB: Chemical Search
Download
Chemical ID: 6646581
Chemical ID:
6646581
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C19H20ClN3O5/c1-11-13(20)6-5-7-14(11)22-18(24)19(25)23-21-10-12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,5,6,4,22,18,16,2,17,7,3,21,19,20,10,12,8,15,9,14,11,13,23,27,25/E:(2,3)(8,9)(15,16)(26,27)/rA:28nCCCCCCCClNCOCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99088 |
Area: | 606.63 |
Solvation: | -7.17488 |
Coulombic: | -65.1093 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 405.832 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.56 |
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 |
---|