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Chemical ID: 5995432
Chemical ID:
5995432
Name [?]:
(2,6-dimethoxyphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-17-9-6-10-18(28-2)19(17)22(26)25-13-11-16(12-14-25)21-23-20(24-29-21)15-7-4-3-5-8-15/h3-10,16H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,25,24,26,5,23,27,4,6,13,15,12,16,22,14,3,7,8,19,17,9,18,20,11,10,2,28,21/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(17,18)(27,28)/rA:29nCOCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s7;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55492 |
Area: | 611.521 |
Solvation: | -5.73311 |
Coulombic: | -44.1469 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 2.97 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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