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Chemical ID: 5882878
Chemical ID:
5882878
Name [?]:
2-[(3-ethylphenyl)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)Nc3cccc(c3)CC
InChi [?]:
InChI=1/C28H37N5O2/c1-7-16-32(27(35)29-22-11-9-10-21(8-2)17-22)19-26(34)30-25-18-24(28(4,5)6)31-33(25)23-14-12-20(3)13-15-23/h9-15,17-18H,7-8,16,19H2,1-6H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,35,20,22,23,24,2,34,30,31,29,16,18,15,19,3,33,10,5,17,32,28,14,11,9,6,25,21,27,8,12,4,13,7,26/E:(4,5,6)(12,13)(14,15)/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;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H37N5O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.4459 |
Area: | 774.991 |
Solvation: | -3.92887 |
Coulombic: | -57.7255 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 475.626 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.44 |
LogP (Chemaxon): | 6.74 |
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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