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Chemical ID: 3934270
Chemical ID:
3934270
Name [?]:
2-(4-ethyl-6-hydroxy-5-methyl-pyrimidin-2-yl)sulfanyl-N-(1-naphthyl)acetamide
SMILES [?]:
CCc1c(c(nc(n1)SCC(=O)Nc2cccc3c2cccc3)O)C
InChi [?]:
InChI=1/C19H19N3O2S/c1-3-15-12(2)18(24)22-19(21-15)25-11-17(23)20-16-10-6-8-13-7-4-5-9-14(13)16/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,22,21,16,23,17,20,15,10,4,18,19,3,14,11,5,7,13,8,6,12,24,9/rA:25nCCCCCNCNSCCONCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.663 |
Area: | 570.549 |
Solvation: | -3.60071 |
Coulombic: | -49.61 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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