ChemDB: Chemical Search
Download
Chemical ID: 5988943
Chemical ID:
5988943
Name [?]:
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-piperidine-1-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H23BrN4O2/c1-18(2,3)21-17(24)23-11-5-4-6-14(23)16-20-15(22-25-16)12-7-9-13(19)10-8-12/h7-10,14H,4-6,11H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,20,24,21,23,9,19,22,13,16,14,6,2,25,15,5,17,8,7,18/E:(1,2,3)(7,8)(9,10)/rA:25cCCCCNCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23BrN4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3605 |
Area: | 553.772 |
Solvation: | -2.48384 |
Coulombic: | -43.6305 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.75 |
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 |
---|