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Chemical ID: 5193149
Chemical ID:
5193149
Name [?]:
(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCCC(C2)c3nc(no3)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H27N3O6/c1-29-18-10-6-5-9-17(18)24(28)27-11-7-8-15(14-27)23-25-22(26-33-23)16-12-19(30-2)21(32-4)20(13-16)31-3/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,33,31,6,5,13,14,7,4,12,27,23,16,15,22,8,3,26,24,25,19,17,9,18,20,11,10,2,28,32,30,21/E:(2,3)(12,13)(19,20)(30,31)/rA:33cCOCCCCCCCONCCCCCCNCNOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39909 |
Area: | 685.374 |
Solvation: | -8.73526 |
Coulombic: | -56.9795 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 453.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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