Chemical ID: 4469962

Cc1ccc(cc1)SC(C)C(=O)Nc2cc(ccc2Cl)C(F)(F)F
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

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