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Chemical ID: 5424760

Chemical ID:

5424760

Name [?]:

N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-2-phenyl-acetamide

SMILES [?]:

CCc1ccc(cc1)Cc2cnc(s2)NC(=O)Cc3ccccc3

InChi [?]:

InChI=1/C20H20N2OS/c1-2-15-8-10-17(11-9-15)12-18-14-21-20(24-18)22-19(23)13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,22,21,23,20,24,4,8,5,7,9,18,11,3,19,6,10,16,13,12,15,17,14/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCCCNCSNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7312
Area:	573.443
Solvation:	-3.60486
Coulombic:	-27.202

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	336.452
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.66
LogP (Chemaxon):	5.02

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