Chemical ID: 7213738

Cc1c(c(n(n1)C)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F)Cl
Chemical ID:
7213738
Name [?]:
(4-chloro-2,5-dimethyl-pyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
Cc1c(c(n(n1)C)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C17H20ClFN4O/c1-12-15(18)16(21(2)20-12)17(24)23-9-7-22(8-10-23)11-13-3-5-14(19)6-4-13/h3-6H,7-11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,18,22,19,21,12,14,11,15,16,2,17,20,3,4,8,24,23,6,5,13,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCNNCCONCCN+CCCCCCCCCFCl/rB:s1;s2;d3;s4;d2s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClFN4O+
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-21.8377
Area:536.783
Solvation:-35.2573
Coulombic:6.72163
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.826
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):1.63

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Descriptor Annotations

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