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Chemical ID: 6245648
Chemical ID:
6245648
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nnc(o2)C3=COCCO3)F
InChi [?]:
InChI=1/C13H10FN3O4/c14-9-4-2-1-3-8(9)11(18)15-13-17-16-12(21-13)10-7-19-5-6-20-10/h1-4,7H,5-6H2,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,16,5,4,15,7,13,10,21,9,12,11,8,17,20,14/rA:21nCCCCCCCONCNNCOCCOCCOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;d15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10FN3O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.86642 |
Area: | 463.11 |
Solvation: | -5.71132 |
Coulombic: | -54.8702 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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