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Chemical ID: 4213712

Chemical ID:

4213712

Name [?]:

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(m-tolyl)acetamide

SMILES [?]:

Cc1cccc(c1)NC(=O)CSc2[nH]c(=O)cc(n2)N

InChi [?]:

InChI=1/C13H14N4O2S/c1-8-3-2-4-9(5-8)15-12(19)7-20-13-16-10(14)6-11(18)17-13/h2-6H,7H2,1H3,(H,15,19)(H3,14,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,7,17,11,2,6,18,15,9,13,20,8,19,14,16,10,12/rA:20nCCCCCCCNCOCSCNCOCCNN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;d15;s15;d17;d13s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₄O₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.74487
Area:	489.923
Solvation:	-3.5032
Coulombic:	-62.1232

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	290.342
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	0.36
LogP (Chemaxon):	1.95

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value