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Chemical ID: 5884289
Chemical ID:
5884289
Name [?]:
2-(benzylcarbamoyl-isopropyl-amino)-N-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CC(C)N(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C26H32ClN5O2/c1-18(2)31(25(34)28-16-19-9-7-6-8-10-19)17-24(33)29-23-15-22(26(3,4)5)30-32(23)21-13-11-20(27)12-14-21/h6-15,18H,16-17H2,1-5H3,(H,28,34)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,24,32,31,33,30,34,16,18,15,19,10,28,5,2,29,17,14,11,9,6,25,21,20,27,8,12,4,13,7,26/E:(1,2)(3,4,5)(7,8)(9,10)(11,12)(13,14)/rA:34nCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;s21;s21;s4;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32ClN5O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.2133 |
Area: | 759.674 |
Solvation: | -3.77859 |
Coulombic: | -58.7086 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 482.017 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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