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Chemical ID: 5997513
Chemical ID:
5997513
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-ethyl-4-fluoro-benzamide
SMILES [?]:
CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H24ClFN4O3/c1-2-29(24(32)16-9-11-19(26)12-10-16)15-21(31)30-13-4-3-8-20(30)23-27-22(28-33-23)17-6-5-7-18(25)14-17/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,20,19,21,11,28,32,29,31,8,23,4,27,18,22,30,12,5,15,13,25,24,33,14,16,3,7,6,26,17/E:(9,10)(11,12)/rA:33cCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s3;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClFN4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5805 |
Area: | 660.792 |
Solvation: | -4.93929 |
Coulombic: | -50.6642 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 470.924 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.91 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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