ChemDB: Chemical Search
Download
Chemical ID: 6002194
Chemical ID:
6002194
Name [?]:
4-butyl-N-(isoxazol-3-ylcarbamoylmethyl)-N-sec-butyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2ccon2)C(C)CC
InChi [?]:
InChI=1/C20H27N3O3/c1-4-6-7-16-8-10-17(11-9-16)20(25)23(15(3)5-2)14-19(24)21-18-12-13-26-22-18/h8-13,15H,4-7,14H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,2,25,3,4,6,10,7,9,19,20,14,23,5,8,18,15,11,17,22,13,16,12,21/E:(8,9)(10,11)/rA:26cCCCCCCCCCCCONCCONCCCONCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d18s21;s13;s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8219 |
Area: | 582.543 |
Solvation: | -3.74171 |
Coulombic: | -42.7257 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.36 |
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 |
---|