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Chemical ID: 5880569
Chemical ID:
5880569
Name [?]:
N-[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-2-[(2,6-dichlorophenyl)carbamoyl-ethyl-amino]-acetamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C24H26Cl3N5O2/c1-5-31(23(34)29-22-16(26)10-8-11-17(22)27)14-21(33)28-20-13-19(24(2,3)4)30-32(20)18-12-7-6-9-15(18)25/h6-13H,5,14H2,1-4H3,(H,28,33)(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,16,15,30,17,29,31,14,9,4,18,28,32,13,10,8,5,27,24,20,19,34,33,7,26,11,3,12,6,25/E:(2,3,4)(10,11)(16,17)(26,27)/rA:34nCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s10;s20;s20;s20;s3;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26Cl3N5O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0941 |
Area: | 733.305 |
Solvation: | -4.23848 |
Coulombic: | -57.829 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 522.854 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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