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Chemical ID: 5393286

Chemical ID:

5393286

Name [?]:

2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(2-ethylphenyl)-acetamide

SMILES [?]:

CCc1ccccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C19H17ClN2OS2/c1-2-13-5-3-4-6-16(13)21-18(23)12-25-19-22-17(11-24-19)14-7-9-15(20)10-8-14/h3-11H,2,12H2,1H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,5,6,4,7,20,24,21,23,17,12,3,19,22,8,16,10,14,25,9,15,11,18,13/E:(7,8)(9,10)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇ClN₂OS₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3133
Area:	612.716
Solvation:	-3.00458
Coulombic:	-28.8251

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	388.936
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.02
LogP (Chemaxon):	5.54

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