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Chemical ID: 4240110
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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