Chemical ID: 5886689

CC(C)N(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5886689
Name [?]:
3,4-dichloro-N-isopropyl-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C26H30Cl2N4O3/c1-16(2)31(25(34)17-7-12-20(27)21(28)13-17)15-24(33)29-23-14-22(26(3,4)5)30-32(23)18-8-10-19(35-6)11-9-18/h7-14,16H,15H2,1-6H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,3,23,24,25,21,29,15,19,16,18,30,33,10,5,2,28,14,17,31,32,11,9,6,26,22,35,34,8,12,4,13,7,27,20/E:(1,2)(3,4,5)(8,9)(10,11)/rA:35nCCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s11;s22;s22;s22;s4;d26;s26;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30Cl2N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.3834
Area:732.369
Solvation:-4.92585
Coulombic:-51.5246
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:517.447
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.87
LogP (Chemaxon):5.74

Name Annotations

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Descriptor Annotations

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