Chemical ID: 5880035

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)COc3ccc(cc3)Cl
Chemical ID:
5880035
Name [?]:
2-[butyl-[2-(4-chlorophenoxy)acetyl]-amino]-N-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C27H32Cl2N4O3/c1-5-6-15-32(26(35)18-36-22-13-9-20(29)10-14-22)17-25(34)30-24-16-23(27(2,3)4)31-33(24)21-11-7-19(28)8-12-21/h7-14,16H,5-6,15,17-18H2,1-4H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,2,3,17,19,32,34,16,20,31,35,4,11,6,28,18,33,15,30,12,10,7,26,22,21,36,9,13,5,14,8,27,29/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:36nCCCCNCCONCCCNNCCCCCCClCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s12;s22;s22;s22;s5;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32Cl2N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.7822
Area:825.241
Solvation:-5.84882
Coulombic:-51.5328
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:531.474
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.11
LogP (Chemaxon):6.21

Name Annotations

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Descriptor Annotations

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