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Chemical ID: 5882867
Chemical ID:
5882867
Name [?]:
2-[(2,6-dimethylphenyl)carbamoyl-propyl-amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C28H37N5O2/c1-8-16-32(27(35)30-26-20(3)10-9-11-21(26)4)18-25(34)29-24-17-23(28(5,6)7)31-33(24)22-14-12-19(2)13-15-22/h9-15,17H,8,16,18H2,1-7H3,(H,29,34)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,20,34,35,22,23,24,2,31,32,30,16,18,15,19,3,10,5,17,33,29,14,11,9,6,28,25,21,8,27,12,4,13,7,26/E:(3,4)(5,6,7)(10,11)(12,13)(14,15)(20,21)/rA:35nCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;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;d29;s30;d31;d28s32;s33;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H37N5O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.7325 |
Area: | 747.389 |
Solvation: | -3.95222 |
Coulombic: | -57.2193 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 475.626 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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