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Chemical ID: 6433599
Chemical ID:
6433599
Name [?]:
N-(3,4-dichlorophenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccc(c(c2)Cl)Cl)O
InChi [?]:
InChI=1/C13H11Cl2N3O2S/c1-7-4-11(19)18-13(16-7)21-6-12(20)17-8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H,17,20)(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,15,3,18,9,2,13,16,17,4,10,6,20,19,7,12,5,21,11,8/rA:21nCCCCNCNSCCONCCCCCCClClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2N3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78226 |
Area: | 535.099 |
Solvation: | -3.5952 |
Coulombic: | -47.9126 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.217 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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