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Chemical ID: 6158927

Chemical ID:

6158927

Name [?]:

N-(5-ethyl-4-phenyl-thiazol-2-yl)-3-phenyl-prop-2-enamide

SMILES [?]:

CCc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C20H18N2OS/c1-2-17-19(16-11-7-4-8-12-16)22-20(24-17)21-18(23)14-13-15-9-5-3-6-10-15/h3-14H,2H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,16,22,15,17,21,23,14,18,20,24,12,11,13,19,3,9,4,6,8,5,10,7/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s4;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2489
Area:	536.76
Solvation:	-3.17009
Coulombic:	-29.3697

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.436
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.2
LogP (Chemaxon):	5.5

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