ChemDB: Chemical Search
Download
Chemical ID: 5882116
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|