Chemical ID: 5882321

Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)CC(C)CC(C)(C)C
Chemical ID:
5882321
Name [?]:
N-isobutyl-3,5,5-trimethyl-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]hexanamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C29H46N4O2/c1-20(2)18-32(27(35)15-22(4)17-28(5,6)7)19-26(34)30-25-16-24(29(8,9)10)31-33(25)23-13-11-21(3)12-14-23/h11-14,16,20,22H,15,17-19H2,1-10H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:24,25,1,30,33,34,35,14,15,16,3,7,4,6,28,10,31,22,20,23,2,29,5,11,9,18,26,32,13,17,12,21,8,19,27/E:(1,2)(5,6,7)(8,9,10)(11,12)(13,14)/rA:35cCCCCCCCNCCCNCCCCNCOCNCCCCCOCCCCCCCC/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;s29;s29;s31;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H46N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:15.8038
Area:780.557
Solvation:-3.71016
Coulombic:-44.252
Bond Count [?]
All:36
Single:29
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:482.701
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.21
LogP (Chemaxon):7.06

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Descriptor Annotations

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