ChemDB: Chemical Search
Download
Chemical ID: 7305918
Chemical ID:
7305918
Name [?]:
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)CCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H27N3O2/c1-2-28-22-10-6-5-9-21(22)25-13-15-26(16-14-25)23(27)12-11-18-17-24-20-8-4-3-7-19(18)20/h3-10,17,24H,2,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,27,7,6,25,28,8,5,19,18,11,15,12,14,21,20,24,23,9,4,16,22,10,13,17,3/E:(13,14)(15,16)/rA:28nCCOCCCCCCNCCNCCCOCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;s22;s20s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O2 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5758 |
Area: | 620.624 |
Solvation: | -4.93983 |
Coulombic: | -40.8878 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.479 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.15 |
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 |
---|