ChemDB: Chemical Search
Download
Chemical ID: 5859938
Chemical ID:
5859938
Name [?]:
4-chloro-N-[1-[(4-methoxyphenyl)methyleneaminocarbamoyl]-3-methyl-butyl]-benzamide
SMILES [?]:
CC(C)CC(C(=O)NN=Cc1ccc(cc1)OC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C21H24ClN3O3/c1-14(2)12-19(24-20(26)16-6-8-17(22)9-7-16)21(27)25-23-13-15-4-10-18(28-3)11-5-15/h4-11,13-14,19H,12H2,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,18,12,16,23,27,24,26,13,15,4,10,2,11,22,25,14,5,20,6,28,9,19,8,21,7,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28cCCCCCCONNCCCCCCCOCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s5;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24ClN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0135 |
Area: | 639.957 |
Solvation: | -4.98538 |
Coulombic: | -50.0381 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 401.886 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.66 |
LogP (Chemaxon): | 4.16 |
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 |
---|