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Chemical ID: 5884153
Chemical ID:
5884153
Name [?]:
N-[[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(C)CC(=O)Nc2cc(nn2c3ccc(cc3C)C)C(C)(C)C
InChi [?]:
InChI=1/C26H32N4O2/c1-17-8-11-20(12-9-17)25(32)29(7)16-24(31)27-23-15-22(26(4,5)6)28-30(23)21-13-10-18(2)14-19(21)3/h8-15H,16H2,1-7H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,28,27,30,31,32,11,3,7,23,4,6,22,25,17,12,2,24,26,5,21,18,16,13,8,29,15,19,10,20,14,9/E:(4,5,6)(8,9)(11,12)/rA:32nCCCCCCCCONCCCONCCCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s10;s12;d13;s13;s15;d16;s17;d18;s16s19;s20;s21;d22;s23;d24;d21s25;s26;s24;s18;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2422 |
Area: | 678.563 |
Solvation: | -3.7219 |
Coulombic: | -44.4769 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.558 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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