Chemical ID: 7213605

Cc1c(c(n(n1)C)C(=O)N2CC[NH+](CC2)Cc3c(cccc3Cl)F)Cl
Chemical ID:
7213605
Name [?]:
(4-chloro-2,5-dimethyl-pyrazol-3-yl)-[4-[(2-chloro-6-fluoro-phenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
Cc1c(c(n(n1)C)C(=O)N2CC[NH+](CC2)Cc3c(cccc3Cl)F)Cl
InChi [?]:
InChI=1/C17H19Cl2FN4O/c1-11-15(19)16(22(2)21-11)17(25)24-8-6-23(7-9-24)10-12-13(18)4-3-5-14(12)20/h3-5H,6-10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,20,21,19,12,14,11,15,16,2,17,22,18,3,4,8,23,25,24,6,5,13,10,9/E:(6,7)(8,9)/rA:25nCCCCNNCCONCCN+CCCCCCCCCClFCl/rB:s1;s2;d3;s4;d2s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20Cl2FN4O+
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-18.6294
Area:554.939
Solvation:-32.5029
Coulombic:5.17094
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:386.271
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.15

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