Chemical ID: 4459534

c1cc(ccc1SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Br
Chemical ID:
4459534
Name [?]:
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(ccc1SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Br
InChi [?]:
InChI=1/C15H10BrClF3NOS/c16-10-2-4-11(5-3-10)23-8-14(22)21-13-7-9(15(18,19)20)1-6-12(13)17/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:15,2,4,1,5,16,13,8,14,3,6,17,12,9,19,23,18,20,21,22,11,10,7/E:(2,3)(4,5)(18,19,20)/rA:23nCCCCCCSCCONCCCCCCClCFFFBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrClF3NOS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3786
Area:542.82
Solvation:-3.1919
Coulombic:-40.7197
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:424.664
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.58
LogP (Chemaxon):5.0

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