Chemical ID: 5880560

CCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl
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

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Descriptor Annotations

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