ChemDB: Chemical Search
Download
Chemical ID: 5192888
Chemical ID:
5192888
Name [?]:
[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3-methoxyphenyl)-methanone
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H27N3O3/c1-16(2)17-9-11-18(12-10-17)22-25-23(30-26-22)20-7-5-13-27(15-20)24(28)19-6-4-8-21(14-19)29-3/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,25,17,24,16,26,5,9,6,8,18,28,20,2,4,7,23,15,27,10,12,21,11,14,19,22,29,13/E:(1,2)(9,10)(11,12)/rA:30cCCCCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;s17;s18;s15s19;s19;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5487 |
Area: | 651.193 |
Solvation: | -3.73114 |
Coulombic: | -38.5543 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 405.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.56 |
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 |
---|