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Chemical ID: 5988420
Chemical ID:
5988420
Name [?]:
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(1-naphthyl)methanone
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)N3CCC(CC3)c4nc(no4)c5cccc(c5)Cl
InChi [?]:
InChI=1/C24H20ClN3O2/c25-19-8-3-7-18(15-19)22-26-23(30-27-22)17-11-13-28(14-12-17)24(29)21-10-4-6-16-5-1-2-9-20(16)21/h1-10,15,17H,11-14H2
InChi Info:
AuxInfo=1/0/N:1,2,26,8,6,7,25,27,3,9,15,17,14,18,29,5,16,24,28,4,10,21,19,11,30,20,22,13,12,23/E:(11,12)(13,14)/rA:30nCCCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1494 |
Area: | 635.707 |
Solvation: | -2.74329 |
Coulombic: | -32.554 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 417.887 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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