Chemical ID: 7156739

CC1(CC(CC(N1)(C)C)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)C
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

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Descriptor Annotations

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