Chemical ID: 3934270

CCc1c(c(nc(n1)SCC(=O)Nc2cccc3c2cccc3)O)C
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

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Descriptor Annotations

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