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Chemical ID: 5986174
Chemical ID:
5986174
Name [?]:
5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-(4-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(cc1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NCc4ccncc4
InChi [?]:
InChI=1/C25H24N4O4/c1-31-19-6-4-18(5-7-19)29-23(25(30)27-16-17-10-12-26-13-11-17)15-22(28-29)21-9-8-20(32-2)14-24(21)33-3/h4-15H,16H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,23,21,5,7,4,8,16,15,29,33,30,32,18,11,27,28,6,3,17,14,12,10,19,24,31,26,13,9,25,2,22,20/E:(4,5)(6,7)(10,11)(12,13)/rA:33nCOCCCCCCNCCCNCCCCCCOCOCCONCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s10;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N4O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28454 |
Area: | 691.834 |
Solvation: | -8.01131 |
Coulombic: | -51.9395 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 444.483 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.64 |
LogP (Chemaxon): | 2.45 |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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