Chemical ID: 6405827

COc1ccccc1C=C2C(=NN(C2=O)c3ccccc3)c4ccccc4
Chemical ID:
6405827
Name [?]:
4-[(2-methoxyphenyl)methylene]-2,5-diphenyl-pyrazol-3-one
SMILES [?]:
COc1ccccc1C=C2C(=NN(C2=O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H18N2O2/c1-27-21-15-9-8-12-18(21)16-20-22(17-10-4-2-5-11-17)24-25(23(20)26)19-13-6-3-7-14-19/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,19,24,26,18,20,6,5,23,27,7,17,21,4,9,22,8,16,10,3,11,14,12,13,15,2/E:(4,5)(6,7)(10,11)(13,14)/rA:27nCOCCCCCCCCCNNCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;s10s13;d14;s13;s16;d17;s18;d19;d16s20;s11;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.305
Area:530.571
Solvation:-2.95926
Coulombic:-28.2601
Bond Count [?]
All:30
Single:18
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.401
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.39
LogP (Chemaxon):5.16

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Descriptor Annotations

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