Chemical ID: 7320025

Cn1c(nnc1SCC(=O)c2ccc(cc2)F)COc3ccc(cc3)Cl
Chemical ID:
7320025
Name [?]:
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)-ethanone
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccc(cc2)F)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClFN3O2S/c1-23-17(10-25-15-8-4-13(19)5-9-15)21-22-18(23)26-11-16(24)12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,22,24,13,15,21,25,18,8,11,23,14,20,9,3,6,26,17,4,5,2,10,19,7/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCNCNNCSCCOCCCCCCFCOCCCCCCCl/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClFN3O2S
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0027
Area:608.87
Solvation:-5.21907
Coulombic:-32.0827
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.848
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.58
LogP (Chemaxon):3.43

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