ChemDB: Chemical Search
Download
Chemical ID: 5517135
Chemical ID:
5517135
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-4-[(4-methyl-1-piperidyl)methyl]benzamide
SMILES [?]:
CC1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccccc4Cl
InChi [?]:
InChI=1/C24H26ClN3OS/c1-17-10-12-28(13-11-17)16-18-6-8-19(9-7-18)23(29)27-24-26-15-21(30-24)14-20-4-2-3-5-22(20)25/h2-9,15,17H,10-14,16H2,1H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,27,25,28,10,14,11,13,3,7,4,6,23,20,8,2,9,12,24,21,29,15,18,30,19,17,5,16,22/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCNCCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClN3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3856 |
Area: | 672.854 |
Solvation: | -3.43577 |
Coulombic: | -34.2635 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 440.002 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 5.5 |
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 |
---|