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Chemical ID: 6293828
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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