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Chemical ID: 5988840
Chemical ID:
5988840
Name [?]:
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenyl-butan-1-one
SMILES [?]:
CCC(c1ccccc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H27N3O3/c1-3-20(17-10-5-4-6-11-17)24(28)27-15-8-7-14-21(27)23-25-22(26-30-23)18-12-9-13-19(16-18)29-2/h4-6,9-13,16,20-21H,3,7-8,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,7,6,8,15,14,25,5,9,24,26,16,13,28,4,23,27,3,17,20,18,10,19,21,12,11,29,22/E:(5,6)(10,11)/rA:30cCCCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0045 |
Area: | 614.115 |
Solvation: | -4.34839 |
Coulombic: | -37.8579 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 405.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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