Chemical ID: 5549830

C=CCn1c(nnc1SCC(=O)N)COc2ccccc2F
Chemical ID:
5549830
Name [?]:
2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)N)COc2ccccc2F
InChi [?]:
InChI=1/C14H15FN4O2S/c1-2-7-19-13(17-18-14(19)22-9-12(16)20)8-21-11-6-4-3-5-10(11)15/h2-6H,1,7-9H2,(H2,16,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,3,14,10,21,16,11,5,8,22,13,6,7,4,12,15,9/rA:22nCCCNCNNCSCCONCOCCCCCCF/rB:d1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s11;s5;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15FN4O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.30143
Area:514.621
Solvation:-5.5641
Coulombic:-49.4782
Bond Count [?]
All:23
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:322.359
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.9
LogP (Chemaxon):1.27

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Descriptor Annotations

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