ChemDB: Chemical Search
Download
Chemical ID: 7156739
Chemical ID:
7156739
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethyl-4-piperidyl)-acetamide
SMILES [?]:
CC1(CC(CC(N1)(C)C)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)C
InChi [?]:
InChI=1/C18H26ClF3N4O/c1-16(2)7-11(8-17(3,4)25-16)23-12(27)9-26-14(10-5-6-10)13(19)15(24-26)18(20,21)22/h10-11,25H,5-9H2,1-4H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,27,8,9,25,26,3,5,13,24,4,11,16,15,17,2,6,19,23,20,21,22,10,18,7,14,12/E:(1,2,3,4)(5,6)(7,8)(16,17)(20,21,22)/rA:27nCCCCCCNCCNCOCNCCCNCFFFClCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s15;s24;s24s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26ClF3N4O |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0661 |
Area: | 582.948 |
Solvation: | -3.50763 |
Coulombic: | -53.3894 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.873 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 1.91 |
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 |
---|