Chemical ID: 6489732

CC1=NN(C(=O)C1=CN(Cc2ccccc2)c3ccccc3)c4cccc(c4)Cl
Chemical ID:
6489732
Name [?]:
4-[(benzyl-phenyl-amino)methylene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=CN(Cc2ccccc2)c3ccccc3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C24H20ClN3O/c1-18-23(24(29)28(26-18)22-14-8-11-20(25)15-22)17-27(21-12-6-3-7-13-21)16-19-9-4-2-5-10-19/h2-15,17H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,20,13,15,19,21,25,12,16,26,18,22,24,28,10,8,2,11,27,17,23,7,5,29,3,9,4,6/E:(4,5)(6,7)(9,10)(12,13)/rA:29nCCNNCOCCNCCCCCCCCCCCCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s2s5;w7;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;d17s21;s4;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClN3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2525
Area:583.335
Solvation:-2.33088
Coulombic:-25.9056
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:401.888
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.24
LogP (Chemaxon):6.6

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Descriptor Annotations

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