Chemical ID: 4240110

Cc1ccc(cc1NC(=O)CSc2ccc(cc2)Cl)F
Chemical ID:
4240110
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2ccc(cc2)Cl)F
InChi [?]:
InChI=1/C15H13ClFNOS/c1-10-2-5-12(17)8-14(10)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,4,14,18,6,11,2,16,5,13,7,9,19,20,8,10,12/E:(3,4)(6,7)/rA:20nCCCCCCCNCOCSCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClFNOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.96061
Area:498.342
Solvation:-3.49795
Coulombic:-25.4175
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.787
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.25
LogP (Chemaxon):3.94

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Descriptor Annotations

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