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Chemical ID: 6337473
Chemical ID:
6337473
Name [?]:
2-cyano-N-cyclohexyl-3-(1,3-diphenylpyrazol-4-yl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)C=C(C#N)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C25H24N4O/c26-17-20(25(30)27-22-12-6-2-7-13-22)16-21-18-29(23-14-8-3-9-15-23)28-24(21)19-10-4-1-5-11-19/h1,3-5,8-11,14-16,18,22H,2,6-7,12-13H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,28,15,2,6,27,29,14,16,3,5,26,30,13,17,18,20,9,4,19,8,25,12,7,22,21,24,11,10,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCCCCCCNNCCCCCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;w18;s19;t20;s19;d22;s22;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N4O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1993 |
Area: | 643.057 |
Solvation: | -2.87716 |
Coulombic: | -33.1058 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.01 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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