Chemical ID: 7211686

CC(C)[NH+]1CCC(CC1)NC(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7211686
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-isopropyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-propanamide
SMILES [?]:
CC(C)[NH+]1CCC(CC1)NC(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C18H26ClF3N4O/c1-10(2)25-8-6-13(7-9-25)23-17(27)11(3)26-15(12-4-5-12)14(19)16(24-26)18(20,21)22/h10-13H,4-9H2,1-3H3,(H,23,27)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,14,26,27,6,8,5,9,2,13,25,7,17,16,18,11,20,24,21,22,23,10,19,4,15,12/E:(1,2)(4,5)(6,7)(8,9)(20,21,22)/rA:27cCCCN+CCCCCNCOCCNCCCNCFFFClCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s11;s13;s13;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27ClF3N4O+
All Atoms:54
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:-17.5343
Area:592.376
Solvation:-32.3437
Coulombic:-15.6846
Bond Count [?]
All:29
Single:26
Double:3
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.881
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.4
LogP (Chemaxon):2.7

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Descriptor Annotations

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