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Chemical ID: 5880560
Chemical ID:
5880560
Name [?]:
N-[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-2-[(3,4-dichlorophenyl)carbamoyl-ethyl-amino]-acetamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C24H26Cl3N5O2/c1-5-31(23(34)28-15-10-11-16(25)18(27)12-15)14-22(33)29-21-13-20(24(2,3)4)30-32(21)19-9-7-6-8-17(19)26/h6-13H,5,14H2,1-4H3,(H,28,34)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,16,15,17,14,28,29,32,9,4,27,30,18,31,13,10,8,5,24,20,34,19,33,26,7,11,3,12,6,25/E:(2,3,4)/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;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26Cl3N5O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.9097 |
Area: | 762.022 |
Solvation: | -4.14087 |
Coulombic: | -57.5904 |
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): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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