Chemical ID: 5883751

CC(C)CN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)Nc3cccc(c3)Cl
Chemical ID:
5883751
Name [?]:
2-[(3-chlorophenyl)carbamoyl-isobutyl-amino]-N-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C26H31Cl2N5O2/c1-17(2)15-32(25(35)29-20-8-6-7-19(28)13-20)16-24(34)30-23-14-22(26(3,4)5)31-33(23)21-11-9-18(27)10-12-21/h6-14,17H,15-16H2,1-5H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,3,23,24,25,31,32,30,17,19,16,20,34,11,4,6,2,18,33,29,15,12,10,7,26,22,21,35,28,9,13,5,14,8,27/E:(1,2)(3,4,5)(9,10)(11,12)/rA:35nCCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCCl/rB:s1;s2;s2;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;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31Cl2N5O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.8236
Area:787.897
Solvation:-3.87379
Coulombic:-58.1547
Bond Count [?]
All:37
Single:27
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:516.462
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.64
LogP (Chemaxon):6.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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