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Chemical ID: 5408132

Chemical ID:

5408132

Name [?]:

N-(3-fluoro-4-methyl-phenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide

SMILES [?]:

Cc1ccc(cc1F)NC(=O)CSc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C18H15FN2OS2/c1-12-7-8-14(9-15(12)19)20-17(22)11-24-18-21-16(10-23-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,3,4,6,17,12,2,19,5,7,16,10,14,8,9,15,11,18,13/E:(3,4)(5,6)/rA:24nCCCCCCCFNCOCSCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅FN₂OS₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4063
Area:	564.044
Solvation:	-3.69484
Coulombic:	-31.5234

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	358.455
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.09
LogP (Chemaxon):	5.41

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