Chemical ID: 7455223

CC(C)C(c1nnc(o1)SCc2ccc(cc2)F)[NH-]
Chemical ID:
7455223
Name [?]:
[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]azanide
SMILES [?]:
CC(C)C(c1nnc(o1)SCc2ccc(cc2)F)[NH-]
InChi [?]:
InChI=1/C13H15FN3OS/c1-8(2)11(15)12-16-17-13(18-12)19-7-9-3-5-10(14)6-4-9/h3-6,8,11,15H,7H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,3,13,17,14,16,11,2,12,15,4,5,8,18,19,6,7,9,10/E:(1,2)(3,4)(5,6)/CRV:15-1/rA:19cCCCCCNNCOSCCCCCCCFN-/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15FN3OS-
All Atoms:34
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-28.5172
Area:477.005
Solvation:-40.4423
Coulombic:4.17762
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.342
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.75
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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