ChemDB: Chemical Search
Download
Chemical ID: 6631362
Chemical ID:
6631362
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-(4-chlorophenyl)-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H20ClN3O3/c1-2-3-12-26-17-10-4-14(5-11-17)13-21-23-19(25)18(24)22-16-8-6-15(20)7-9-16/h4-11,13H,2-3,12H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,10,22,24,21,25,7,11,4,12,9,23,20,6,17,15,26,13,19,14,18,16,5/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCOCCCCCCCNNCOCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6309 |
Area: | 621.584 |
Solvation: | -3.90872 |
Coulombic: | -53.0998 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.833 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.91 |
LogP (Chemaxon): | 4.45 |
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 |
---|