ChemDB: Chemical Search
Download
Chemical ID: 5193151
Chemical ID:
5193151
Name [?]:
(3,4-dimethoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1OC)C(=O)N2CCCC(C2)c3nc(no3)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C25H29N3O7/c1-30-18-9-8-15(11-19(18)31-2)25(29)28-10-6-7-16(14-28)24-26-23(27-35-24)17-12-20(32-3)22(34-5)21(13-17)33-4/h8-9,11-13,16H,6-7,10,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,31,35,33,15,16,5,4,14,7,29,25,18,6,17,24,3,8,28,26,27,21,19,11,20,22,13,12,2,9,30,34,32,23/E:(3,4)(12,13)(20,21)(32,33)/rA:35cCOCCCCCCOCCONCCCCCCNCNOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O7 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.75904 |
Area: | 729.105 |
Solvation: | -10.4686 |
Coulombic: | -63.0775 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 483.514 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.36 |
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 |
---|