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Chemical ID: 6209855
Chemical ID:
6209855
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
c1cc(sc1)c2nc(on2)CCC(=O)Nc3ccc(c(c3)Cl)F
InChi [?]:
InChI=1/C15H11ClFN3O2S/c16-10-8-9(3-4-11(10)17)18-13(21)5-6-14-19-15(20-22-14)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,12,11,5,21,16,20,19,3,13,8,6,22,23,15,7,10,14,9,4/rA:23nCCCSCCNCONCCCONCCCCCCClF/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClFN3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2118 |
Area: | 552.837 |
Solvation: | -3.60917 |
Coulombic: | -35.2852 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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