ChemDB: Chemical Search
Download
Chemical ID: 6029410
Chemical ID:
6029410
Name [?]:
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-[2-(1-piperidyl)ethyl]propanamide
SMILES [?]:
c1ccc(cc1)Cn2cc(c3c2cccc3)C(CC(=O)NCCN4CCCCC4)c5ccc(cc5)F
InChi [?]:
InChI=1/C31H34FN3O/c32-26-15-13-25(14-16-26)28(21-31(36)33-17-20-34-18-7-2-8-19-34)29-23-35(22-24-9-3-1-4-10-24)30-12-6-5-11-27(29)30/h1,3-6,9-16,23,28H,2,7-8,17-22H2,(H,33,36)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,15,14,26,28,3,5,16,13,31,35,32,34,22,25,29,23,18,7,9,4,30,33,11,17,10,12,19,36,21,24,8,20/E:(3,4)(7,8)(9,10)(13,14)(15,16)(18,19)/rA:36cCCCCCCCNCCCCCCCCCCCONCCNCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;s10;s17;s18;d19;s19;s21;s22;s23;s24;s25;s26;s27;s24s28;s17;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H34FN3O |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.2218 |
Area: | 748.826 |
Solvation: | -4.49887 |
Coulombic: | -38.178 |
Bond Count [?]
All: | 40 |
Single: | 29 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 483.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.86 |
LogP (Chemaxon): | 6.27 |
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 |
---|