Chemical ID: 5149756

c1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3cccc(c3Cl)Cl)C(F)(F)F
Chemical ID:
5149756
Name [?]:
N-(2,3-dichlorophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3cccc(c3Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H12Cl2F3N3OS/c20-12-7-4-8-13(17(12)21)25-16(28)10-29-18-26-14(11-5-2-1-3-6-11)9-15(27-18)19(22,23)24/h1-9H,10H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,3,5,21,19,8,14,4,22,18,7,9,15,23,11,26,25,24,27,28,29,17,12,10,16,13/E:(2,3)(5,6)(22,23,24)/rA:29nCCCCCCCCCNCNSCCONCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s9;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12Cl2F3N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6618
Area:642.471
Solvation:-3.39998
Coulombic:-53.8381
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:458.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.32
LogP (Chemaxon):5.76

Name Annotations

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Descriptor Annotations

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