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Chemical ID: 5720477
Chemical ID:
5720477
Name [?]:
N-(4-acetylphenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccc(cc2)C(=O)C)C
InChi [?]:
InChI=1/C17H19N3O3S/c1-4-14-10(2)18-17(20-16(14)23)24-9-15(22)19-13-7-5-12(6-8-13)11(3)21/h5-8H,4,9H2,1-3H3,(H,19,22)(H,18,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,17,19,16,20,11,4,21,18,15,3,12,8,6,5,14,7,22,13,9,10/E:(5,6)(7,8)/rA:24nCCCCNCNCOSCCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s6;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97016 |
Area: | 569.75 |
Solvation: | -4.27357 |
Coulombic: | -53.1505 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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