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Chemical ID: 7467850

Chemical ID:

7467850

Name [?]:

N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide

SMILES [?]:

Cc1cc(=O)[nH]c(n1)SCC(=O)N(C)c2ccccc2

InChi [?]:

InChI=1/C14H15N3O2S/c1-10-8-12(18)16-14(15-10)20-9-13(19)17(2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,15,16,18)

InChi Info:

AuxInfo=1/1/N:1,14,18,17,19,16,20,3,10,2,15,4,11,7,8,6,13,5,12,9/E:(4,5)(6,7)/rA:20nCCCCONCNSCCONCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s11;s13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅N₃O₂S
All Atoms:	35
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.78712
Area:	493.354
Solvation:	-3.54673
Coulombic:	-41.2673

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	289.354
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	0.95
LogP (Chemaxon):	1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value