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Chemical ID: 5988799
Chemical ID:
5988799
Name [?]:
(2,4-dimethoxyphenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-8-4-6-15(12-17)21-24-22(31-25-21)16-7-5-11-26(14-16)23(27)19-10-9-18(29-2)13-20(19)30-3/h4,6,8-10,12-13,16H,5,7,11,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,5,16,6,15,4,24,23,17,8,26,19,7,14,3,25,22,27,9,11,20,10,13,18,21,2,30,28,12/rA:31cCOCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64004 |
Area: | 658.167 |
Solvation: | -6.81415 |
Coulombic: | -49.9893 |
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): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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