Chemical ID: 6293828

Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Cl)c3ccccc3
Chemical ID:
6293828
Name [?]:
N-(4-chlorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H16ClN3OS/c1-13-11-17(14-5-3-2-4-6-14)23-19(21-13)25-12-18(24)22-16-9-7-15(20)8-10-16/h2-11H,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,15,17,14,18,3,9,2,20,16,13,4,10,6,19,7,12,5,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCNCNSCCONCCCCCCClCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8561
Area:596.424
Solvation:-3.05456
Coulombic:-33.6623
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.869
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):4.78

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Descriptor Annotations

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