Chemical ID: 5882325

Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5882325
Name [?]:
3,4-dichloro-N-isobutyl-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C27H32Cl2N4O2/c1-17(2)15-32(26(35)19-9-12-21(28)22(29)13-19)16-25(34)30-24-14-23(27(4,5)6)31-33(24)20-10-7-18(3)8-11-20/h7-14,17H,15-16H2,1-6H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:24,25,1,14,15,16,3,7,29,4,6,30,33,10,22,20,23,2,28,5,31,32,11,9,18,26,13,35,34,17,12,21,8,19,27/E:(1,2)(4,5,6)(7,8)(10,11)/rA:35nCCCCCCCNCCCNCCCCNCOCNCCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;s23;s23;s21;d26;s26;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32Cl2N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.323
Area:772.5
Solvation:-3.98947
Coulombic:-45.2543
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:515.474
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.59
LogP (Chemaxon):6.91

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Descriptor Annotations

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