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Chemical ID: 7212682
Chemical ID:
7212682
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-isopropyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-acetamide
SMILES [?]:
CC(C)[NH+]1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C17H24ClF3N4O/c1-10(2)24-7-5-12(6-8-24)22-13(26)9-25-15(11-3-4-11)14(18)16(23-25)17(19,20)21/h10-12H,3-9H2,1-2H3,(H,22,26)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,25,26,6,8,5,9,13,2,24,7,11,16,15,17,19,23,20,21,22,10,18,4,14,12/E:(1,2)(3,4)(5,6)(7,8)(19,20,21)/rA:26nCCCN+CCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s11;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s15;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25ClF3N4O+ |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.1291 |
Area: | 574.689 |
Solvation: | -32.4963 |
Coulombic: | -14.8914 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.855 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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