Chemical ID: 5880785

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
5880785
Name [?]:
2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H31Cl2N5O2/c1-5-6-15-32(25(35)29-19-13-11-18(27)12-14-19)17-24(34)30-23-16-22(26(2,3)4)31-33(23)21-10-8-7-9-20(21)28/h7-14,16H,5-6,15,17H2,1-4H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,2,3,18,17,19,16,31,33,30,34,4,11,6,32,29,20,15,12,10,7,26,22,35,21,28,9,13,5,14,8,27/E:(2,3,4)(11,12)(13,14)/rA:35nCCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s12;s22;s22;s22;s5;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31Cl2N5O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.6786
Area:789.678
Solvation:-4.06336
Coulombic:-58.3277
Bond Count [?]
All:37
Single:27
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:516.462
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.91
LogP (Chemaxon):6.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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