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Chemical ID: 6143690
Chemical ID:
6143690
Name [?]:
2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccccc2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H19N3O2S/c1-14-12-18(15-8-10-17(25-2)11-9-15)23-20(21-14)26-13-19(24)22-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,16,15,17,14,18,20,24,21,23,3,9,2,19,13,22,4,10,6,7,12,5,11,25,8/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCNCNSCCONCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s4;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5669 |
Area: | 598.882 |
Solvation: | -4.40517 |
Coulombic: | -39.7856 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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