Chemical ID: 5995432

COc1cccc(c1C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4)OC
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

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Experimental Annotations

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Descriptor Annotations

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