ChemDB: Chemical Search
Download
Chemical ID: 6033516
Chemical ID:
6033516
Name [?]:
N-cyclopropyl-N-[[4-[(4-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F)C4CC4
InChi [?]:
InChI=1/C24H23FN4O3S/c1-15-2-4-16(5-3-15)23(32)29(20-10-11-20)13-22(31)28-24-27-19(14-33-24)12-21(30)26-18-8-6-17(25)7-9-18/h2-9,14,20H,10-13H2,1H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,26,28,25,29,32,33,20,11,18,2,5,27,24,17,31,21,12,8,15,30,23,16,14,10,22,13,9,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCCCCCONCCONCNCCSCCONCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s10;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23FN4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.838 |
Area: | 691.47 |
Solvation: | -6.44871 |
Coulombic: | -64.9887 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.529 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.13 |
LogP (Chemaxon): | 4.11 |
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 |
---|