Chemical ID: 5375414

c1ccc(cc1)N(c2ccccc2)C(=O)CSc3ccc(cc3)Cl
Chemical ID:
5375414
Name [?]:
2-(4-chlorophenyl)sulfanyl-N,N-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H16ClNOS/c21-16-11-13-19(14-12-16)24-15-20(23)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,20,22,19,23,16,21,4,8,18,14,24,7,15,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:24nCCCCCCNCCCCCCCOCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16ClNOS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4424
Area:566.588
Solvation:-2.72234
Coulombic:-19.7476
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.866
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.43

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