Chemical ID: 7215272

c1cc(c(c(c1)Cl)NC(=O)CSc2nccc(n2)c3ccc(cc3)F)Cl
Chemical ID:
7215272
Name [?]:
N-(2,6-dichlorophenyl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)CSc2nccc(n2)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C18H12Cl2FN3OS/c19-13-2-1-3-14(20)17(13)24-16(25)10-26-18-22-9-8-15(23-18)11-4-6-12(21)7-5-11/h1-9H,10H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,24,21,23,16,15,11,19,22,3,5,17,9,4,13,26,7,25,14,18,8,10,12/E:(2,3)(4,5)(6,7)(13,14)(19,20)/rA:26nCCCCCCClNCOCSCNCCCNCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2FN3OS
All Atoms:38
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8938
Area:601.223
Solvation:-4.13681
Coulombic:-37.1424
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.277
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):3.97

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