ChemDB: Chemical Search
Download
Chemical ID: 6009927
Chemical ID:
6009927
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCN2CCCC2)CC(=O)Nc3ccon3
InChi [?]:
InChI=1/C19H24N4O3/c1-15-4-6-16(7-5-15)19(25)23(12-11-22-9-2-3-10-22)14-18(24)20-17-8-13-26-21-17/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,7,4,6,23,14,17,12,11,24,18,2,5,22,19,8,21,26,13,10,20,9,25/E:(2,3)(4,5)(6,7)(9,10)/rA:26nCCCCCCCCONCCNCCCCCCONCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s10;s18;d19;s19;s21;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83593 |
Area: | 579.565 |
Solvation: | -4.65321 |
Coulombic: | -46.1715 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.01 |
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 |
---|