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Chemical ID: 6158876

CCc1c(nc(s1)NC(=O)CC(c2ccccc2)c3ccccc3)c4ccccc4

Chemical ID:

6158876

Name [?]:

N-(5-ethyl-4-phenyl-thiazol-2-yl)-3,3-diphenyl-propanamide

SMILES [?]:

CCc1c(nc(s1)NC(=O)CC(c2ccccc2)c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C26H24N2OS/c1-2-23-25(21-16-10-5-11-17-21)28-26(30-23)27-24(29)18-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,22H,2,18H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,16,22,28,15,17,21,23,27,29,14,18,20,24,26,30,11,13,19,25,12,3,9,4,6,8,5,10,7/E:(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(19,20)/rA:30nCCCCNCSNCOCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s4;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂OS
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7627
Area:	652.392
Solvation:	-3.54713
Coulombic:	-29.9958

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	412.548
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.4
LogP (Chemaxon):	6.97

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value