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Chemical ID: 5988092
Chemical ID:
5988092
Name [?]:
1-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-propan-1-one
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)CCc4ccccc4
InChi [?]:
InChI=1/C23H25N3O2/c1-17-8-7-11-19(16-17)22-24-23(28-25-22)20-12-5-6-15-26(20)21(27)14-13-18-9-3-2-4-10-18/h2-4,7-11,16,20H,5-6,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,16,4,3,24,28,5,14,22,21,17,7,2,23,6,13,19,8,10,9,12,18,20,11/E:(3,4)(9,10)/rA:28cCCCCCCCCNCONCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.081 |
Area: | 605.587 |
Solvation: | -3.05869 |
Coulombic: | -30.5709 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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