Chemical ID: 6504908

c1ccc(cc1)C2=NN(C(=O)C2C(=O)c3ccccc3)c4ccccc4
Chemical ID:
6504908
Name [?]:
4-benzoyl-2,5-diphenyl-4H-pyrazol-3-one
SMILES [?]:
c1ccc(cc1)C2=NN(C(=O)C2C(=O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C22H16N2O2/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-24(22(19)26)18-14-8-3-9-15-18/h1-15,19H
InChi Info:
AuxInfo=1/0/N:1,18,24,2,6,17,19,23,25,3,5,16,20,22,26,4,15,21,12,7,13,10,8,9,14,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26cCCCCCCCNNCOCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s9;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.5424
Area:546.217
Solvation:-3.11298
Coulombic:-26.2833
Bond Count [?]
All:29
Single:17
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):4.42

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