Chemical ID: 7212548

Cc1cc(nn1CC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C(F)F
Chemical ID:
7212548
Name [?]:
2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-acetamide
SMILES [?]:
Cc1cc(nn1CC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C(F)F
InChi [?]:
InChI=1/C16H26F2N4O/c1-10-6-12(14(17)18)20-22(10)9-13(23)19-11-7-15(2,3)21-16(4,5)8-11/h6,11,14,21H,7-9H2,1-5H3,(H,19,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,19,20,3,16,12,7,2,11,4,8,21,15,13,22,23,10,5,14,6,9/E:(2,3,4,5)(7,8)(15,16)(17,18)/rA:23nCCCCNNCCONCCCN+CCCCCCCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s15;s13;s13;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27F2N4O+
All Atoms:50
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-21.3612
Area:527.535
Solvation:-34.5495
Coulombic:0.193866
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.409
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):0.2

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Descriptor Annotations

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