Chemical ID: 5987268

c1ccc(c(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCc4cccc(c4)C(F)(F)F)Cl
Chemical ID:
5987268
Name [?]:
5-(2-chlorophenyl)-2-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCc4cccc(c4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C24H16ClF4N3O/c25-20-7-2-1-6-19(20)21-13-22(32(31-21)18-10-8-17(26)9-11-18)23(33)30-14-15-4-3-5-16(12-15)24(27,28)29/h1-13H,14H2,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,6,3,14,16,13,17,28,8,22,23,27,15,12,5,4,7,9,19,29,33,18,30,31,32,21,11,10,20/E:(8,9)(10,11)(27,28,29)/rA:33nCCCCCCCCCNNCCCCCCFCONCCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16ClF4N3O
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.8435
Area:658.352
Solvation:-4.61534
Coulombic:-52.2703
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:473.85
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.86
LogP (Chemaxon):6.06

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Descriptor Annotations

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