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Chemical ID: 7529723
Chemical ID:
7529723
Name [?]:
N-(2,3-dichlorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H15Cl2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-19(22-12)26-11-17(25)23-15-9-5-8-14(20)18(15)21/h2-10H,11H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,15,22,26,16,14,3,9,2,21,17,13,4,10,18,6,20,19,7,12,5,11,8/E:(3,4)(6,7)/rA:26nCCCCNCNSCCONCCCCCCClClCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s17;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2N3OS |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.6341 |
Area: | 617.542 |
Solvation: | -2.80447 |
Coulombic: | -34.4918 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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