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Chemical ID: 5429490
Chemical ID:
5429490
Name [?]:
N-cycloheptylideneamino-1,3-diphenyl-pyrazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NN=C4CCCCCC4
InChi [?]:
InChI=1/C23H24N4O/c28-23(25-24-19-13-7-1-2-8-14-19)21-17-27(20-15-9-4-10-16-20)26-22(21)18-11-5-3-6-12-18/h3-6,9-12,15-17H,1-2,7-8,13-14H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:25,26,1,15,2,6,24,27,14,16,3,5,23,28,13,17,9,4,22,12,8,7,18,21,20,11,10,19/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28nCCCCCCCCCNNCCCCCCCONNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;d18;s18;s20;d21;s22;s23;s24;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N4O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1187 |
Area: | 603.263 |
Solvation: | -3.96291 |
Coulombic: | -25.7173 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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