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Chemical ID: 5988728
Chemical ID:
5988728
Name [?]:
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2-naphthyl)methanone
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)F
InChi [?]:
InChI=1/C24H20FN3O2/c25-20-12-10-17(11-13-20)22-26-23(30-27-22)21-7-3-4-14-28(21)24(29)19-9-8-16-5-1-2-6-18(16)15-19/h1-2,5-6,8-13,15,21H,3-4,7,14H2
InChi Info:
AuxInfo=1/0/N:1,2,16,15,10,3,17,8,7,25,29,26,28,14,5,9,24,4,6,27,18,21,19,11,30,20,22,13,12,23/E:(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20FN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.899 |
Area: | 588.682 |
Solvation: | -3.81801 |
Coulombic: | -35.6357 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 401.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.81 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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