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Chemical ID: 7212548
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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