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Chemical ID: 4459036
Chemical ID:
4459036
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1F)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H10ClF4NOS/c16-12-6-1-9(15(18,19)20)7-13(12)21-14(22)8-23-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:16,1,5,2,4,17,14,9,15,6,3,18,13,10,20,19,7,21,22,23,12,11,8/E:(2,3)(4,5)(18,19,20)/rA:23nCCCCCCFSCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClF4NOS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8306 |
Area: | 518.917 |
Solvation: | -4.14233 |
Coulombic: | -43.7539 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.758 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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