Chemical ID: 5429490

c1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NN=C4CCCCCC4
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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