ChemDB: Chemical Search
Download
Chemical ID: 5764924
Chemical ID:
5764924
Name [?]:
N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(ccc1CN2CCC(CC2)C(=O)NN=Cc3cc(ccc3O)Br)Cl
InChi [?]:
InChI=1/C20H21BrClN3O2/c21-17-3-6-19(26)16(11-17)12-23-24-20(27)15-7-9-25(10-8-15)13-14-1-4-18(22)5-2-14/h1-6,11-12,15,26H,7-10,13H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,4,23,10,12,9,13,20,18,7,6,11,19,21,3,24,14,26,27,17,16,8,25,15/E:(1,2)(4,5)(7,8)(9,10)/rA:27nCCCCCCCNCCCCCCONNCCCCCCCOBrCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21BrClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8637 |
Area: | 627.97 |
Solvation: | -4.8356 |
Coulombic: | -40.0276 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 450.756 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.46 |
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 |
---|