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Chemical ID: 5986152
Chemical ID:
5986152
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C28H38N4O4/c1-7-31(8-2)17-9-10-20(3)29-28(33)26-19-25(24-16-15-23(35-5)18-27(24)36-6)30-32(26)21-11-13-22(34-4)14-12-21/h11-16,18-20H,7-10,17H2,1-6H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,5,10,26,36,34,2,4,7,8,20,24,21,23,29,28,6,31,15,9,19,22,30,27,16,14,32,12,11,17,3,18,13,25,35,33/E:(1,2)(7,8)(11,12)(13,14)/rA:36cCCNCCCCCCCNCOCCCNNCCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s16;s27;d28;s29;d30;d27s31;s32;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H38N4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0428 |
Area: | 793.473 |
Solvation: | -7.79408 |
Coulombic: | -52.8751 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 494.626 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.06 |
LogP (Chemaxon): | 3.57 |
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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