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Chemical ID: 4469962
Chemical ID:
4469962
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(p-tolylsulfanyl)propanamide
SMILES [?]:
Cc1ccc(cc1)SC(C)C(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C17H15ClF3NOS/c1-10-3-6-13(7-4-10)24-11(2)16(23)22-15-9-12(17(19,20)21)5-8-14(15)18/h3-9,11H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,3,7,17,4,6,18,15,2,9,16,5,19,14,11,21,20,22,23,24,13,12,8/E:(3,4)(6,7)(19,20,21)/rA:24cCCCCCCCSCCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NOS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8345 |
Area: | 548.267 |
Solvation: | -2.87214 |
Coulombic: | -41.9413 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.821 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.51 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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