ChemDB: Chemical Search
Download
Chemical ID: 4984636
Chemical ID:
4984636
Name [?]:
1-benzyl-3-[2-(1-piperidyl)ethoxy]indazole
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c(n2)OCCN4CCCCC4
InChi [?]:
InChI=1/C21H25N3O/c1-3-9-18(10-4-1)17-24-20-12-6-5-11-19(20)21(22-24)25-16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,12,11,22,24,3,5,13,10,21,25,19,18,7,4,14,9,15,16,20,8,17/E:(3,4)(7,8)(9,10)(13,14)/rA:25nCCCCCCCNCCCCCCCNOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s15;s17;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9177 |
Area: | 563.348 |
Solvation: | -3.16598 |
Coulombic: | -22.2109 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 335.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.64 |
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 |
---|