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Chemical ID: 5995007
Chemical ID:
5995007
Name [?]:
(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4c(cccc4OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-7-4-6-16(14-17)21-24-22(31-25-21)15-10-12-26(13-11-15)23(27)20-18(29-2)8-5-9-19(20)30-3/h4-9,14-15H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,31,5,25,6,4,26,24,15,19,16,18,8,14,7,3,27,23,22,9,11,20,10,13,17,21,2,28,30,12/E:(2,3)(8,9)(10,11)(12,13)(18,19)(29,30)/rA:31nCOCCCCCCCNCONCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s23;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08696 |
Area: | 649.509 |
Solvation: | -7.15075 |
Coulombic: | -50.0988 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.462 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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