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Chemical ID: 5987362
Chemical ID:
5987362
Name [?]:
5-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(nn2c3ccc(c(c3)Cl)Cl)c4ccccc4Cl
InChi [?]:
InChI=1/C24H18Cl3N3O/c1-15(16-7-3-2-4-8-16)28-24(31)23-14-22(18-9-5-6-10-19(18)25)29-30(23)17-11-12-20(26)21(27)13-17/h2-15H,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,27,28,4,8,26,29,18,19,22,13,2,3,17,25,30,20,21,14,12,10,31,24,23,9,15,16,11/E:(3,4)(7,8)/rA:31cCCCCCCCCNCOCCCNNCCCCCCClClCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s14;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl3N3O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.0086 |
Area: | 678.973 |
Solvation: | -2.96571 |
Coulombic: | -31.5702 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 470.777 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.54 |
LogP (Chemaxon): | 6.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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