ChemDB: Chemical Search
Download
Chemical ID: 6033288
Chemical ID:
6033288
Name [?]:
4-chloro-N-[[4-[(2-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)Nc2ccccc2F)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H22ClFN4O3S/c1-14(2)29(22(32)15-7-9-16(24)10-8-15)12-21(31)28-23-26-17(13-33-23)11-20(30)27-19-6-4-3-5-18(19)25/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,26,28,31)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,28,32,29,31,14,5,12,2,27,30,11,23,18,15,6,25,9,33,24,10,17,8,4,16,7,26,13/E:(1,2)(7,8)(9,10)/rA:33nCCCNCCONCNCCSCCONCCCCCCFCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s4;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22ClFN4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4832 |
Area: | 694.475 |
Solvation: | -5.87869 |
Coulombic: | -67.3296 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 488.963 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.87 |
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 |
---|