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Chemical ID: 4459534
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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