ChemDB: Chemical Search
Download
Chemical ID: 5882501
Chemical ID:
5882501
Name [?]:
N-ethyl-4-methoxy-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H32N4O4/c1-7-29(25(32)18-8-12-20(33-5)13-9-18)17-24(31)27-23-16-22(26(2,3)4)28-30(23)19-10-14-21(34-6)15-11-19/h8-16H,7,17H2,1-6H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,34,20,2,28,32,14,18,29,31,15,17,9,4,27,13,30,16,10,8,5,25,21,7,11,3,12,6,26,33,19/E:(2,3,4)(8,9)(10,11)(12,13)(14,15)/rA:34nCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s21;s21;s3;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5844 |
Area: | 719.37 |
Solvation: | -6.39984 |
Coulombic: | -57.3031 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 464.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.03 |
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 |
---|