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Chemical ID: 6293895

Chemical ID:

6293895

Name [?]:

2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(4-pyridyl)acetamide

SMILES [?]:

Cc1cc(nc(n1)SCC(=O)Nc2ccncc2)c3ccccc3

InChi [?]:

InChI=1/C18H16N4OS/c1-13-11-16(14-5-3-2-4-6-14)22-18(20-13)24-12-17(23)21-15-7-9-19-10-8-15/h2-11H,12H2,1H3,(H,19,21,23)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,14,18,15,17,3,9,2,19,13,4,10,6,16,7,12,5,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCNCNSCCONCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s4;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₄OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2953
Area:	558.552
Solvation:	-3.66852
Coulombic:	-36.3386

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	336.412
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.12
LogP (Chemaxon):	2.95

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value