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Chemical ID: 6293422
Chemical ID:
6293422
Name [?]:
N-(4-fluorophenyl)-2-[(5-isopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CC(C)c1[nH]c(nn1)SCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C13H15FN4OS/c1-8(2)12-16-13(18-17-12)20-7-11(19)15-10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,15,19,10,2,17,14,11,4,6,20,13,5,8,7,12,9/E:(1,2)(3,4)(5,6)/rA:20nCCCCNCNNSCCONCCCCCCF/rB:s1;s2;s2;s4;s5;d6;d4s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15FN4OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80361 |
Area: | 492.391 |
Solvation: | -3.50616 |
Coulombic: | -39.5856 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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