Chemical ID: 6998920

Cc1cc(=O)nc([nH]1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
Chemical ID:
6998920
Name [?]:
2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(=O)nc([nH]1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H10Cl3N3O2S/c1-6-2-10(20)19-13(17-6)22-5-11(21)18-12-8(15)3-7(14)4-9(12)16/h2-4H,5H2,1H3,(H,18,21)(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,10,2,17,15,19,4,11,14,7,21,22,20,8,13,6,5,12,9/E:(3,4)(8,9)(15,16)/rA:22nCCCCONCNSCCONCCCCCCClClCl/rB:s1;d2;s3;d4;s4;d6;s2s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl3N3O2S
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7828
Area:562.466
Solvation:-3.27881
Coulombic:-47.0539
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.662
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):2.59

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