Chemical ID: 5882116

CCCCCCC(=O)N(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(C)C
Chemical ID:
5882116
Name [?]:
N-isopropyl-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]heptanamide
SMILES [?]:
CCCCCCC(=O)N(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(C)C
InChi [?]:
InChI=1/C26H40N4O2/c1-8-9-10-11-12-25(32)29(19(2)3)18-24(31)27-23-17-22(26(5,6)7)28-30(23)21-15-13-20(4)14-16-21/h13-17,19H,8-12,18H2,1-7H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,31,32,25,27,28,29,2,3,4,5,6,21,23,20,24,15,10,30,22,19,16,14,11,7,26,13,17,9,18,12,8/E:(2,3)(5,6,7)(13,14)(15,16)/rA:32nCCCCCCCONCCONCCCNNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;s16;s26;s26;s26;s9;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H40N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.8239
Area:741.212
Solvation:-3.7064
Coulombic:-43.2783
Bond Count [?]
All:33
Single:26
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:440.622
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.96
LogP (Chemaxon):5.9

Name Annotations

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Descriptor Annotations

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