ChemDB: Chemical Search
Download
Chemical ID: 6002166
Chemical ID:
6002166
Name [?]:
N-cyclohexyl-N-(isoxazol-3-ylcarbamoylmethyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)N(CC(=O)Nc2ccon2)C3CCCCC3
InChi [?]:
InChI=1/C19H23N3O4/c1-25-16-9-5-6-14(12-16)19(24)22(15-7-3-2-4-8-15)13-18(23)20-17-10-11-26-21-17/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,6,22,26,4,17,18,8,12,7,21,3,16,13,9,15,20,11,14,10,2,19/E:(3,4)(7,8)/rA:26nCOCCCCCCCONCCONCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d16s19;s11;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82935 |
Area: | 557.857 |
Solvation: | -5.11706 |
Coulombic: | -48.633 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.81 |
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 |
---|