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Chemical ID: 7097891
Chemical ID:
7097891
Name [?]:
(3,4-dimethoxyphenyl)-[3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C23H25N3O4/c1-15-6-8-16(9-7-15)21-24-22(30-25-21)18-5-4-12-26(14-18)23(27)17-10-11-19(28-2)20(13-17)29-3/h6-11,13,18H,4-5,12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,28,15,14,3,7,4,6,22,23,16,26,18,2,5,21,13,24,25,8,10,19,9,12,17,20,29,27,11/E:(6,7)(8,9)/rA:30cCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O4 |
All Atoms: | 55 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3613 |
Area: | 645.952 |
Solvation: | -5.78747 |
Coulombic: | -43.9234 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.462 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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