ChemDB: Chemical Search
Download
Chemical ID: 6002014
Chemical ID:
6002014
Name [?]:
3-fluoro-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CCN2CCCCC2)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H25FN4O3/c1-15-12-18(23-28-15)22-19(26)14-25(11-10-24-8-3-2-4-9-24)20(27)16-6-5-7-17(21)13-16/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,24,23,25,15,19,13,12,3,27,10,2,22,26,4,8,20,28,7,5,14,11,9,21,6/E:(3,4)(8,9)/rA:28nCCCCNONCOCNCCNCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79036 |
Area: | 604.138 |
Solvation: | -5.3131 |
Coulombic: | -49.4404 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.06 |
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 |
---|