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Chemical ID: 4388597
Chemical ID:
4388597
Name [?]:
5-(4-methoxyphenyl)-2-phenyl-4-(p-tolylmethylene)pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=NN(C2=O)c3ccccc3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H20N2O2/c1-17-8-10-18(11-9-17)16-22-23(19-12-14-21(28-2)15-13-19)25-26(24(22)27)20-6-4-3-5-7-20/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,18,17,19,16,20,3,7,4,6,22,26,23,25,8,2,5,21,15,24,9,10,13,11,12,14,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCCCCCCCCNNCOCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s11;s9s12;d13;s12;s15;d16;s17;d18;d15s19;s10;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5098 |
Area: | 546.834 |
Solvation: | -3.16111 |
Coulombic: | -27.5104 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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