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Chemical ID: 7509857
Chemical ID:
7509857
Name [?]:
2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClN3OS/c1-13-11-17(14-7-9-15(20)10-8-14)23-19(21-13)25-12-18(24)22-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,20,24,21,23,3,9,2,19,22,13,4,10,6,25,7,12,5,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCNCNSCCONCCCCCCCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClN3OS |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8023 |
Area: | 596.432 |
Solvation: | -3.10855 |
Coulombic: | -33.6295 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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