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Chemical ID: 5505205

Cc1cccc(c1)Cc2cnc(s2)NC(=O)CC(c3ccccc3)c4ccccc4

Chemical ID:

5505205

Name [?]:

N-[5-(m-tolylmethyl)thiazol-2-yl]-3,3-diphenyl-propanamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)CC(c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C26H24N2OS/c1-19-9-8-10-20(15-19)16-23-18-27-26(30-23)28-25(29)17-24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,18,24H,16-17H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,22,28,21,23,27,29,4,3,5,20,24,26,30,7,8,17,10,2,6,19,25,9,18,15,12,11,14,16,13/E:(2,3)(4,5,6,7)(11,12,13,14)(21,22)/rA:30nCCCCCCCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.6827
Area:	662.636
Solvation:	-3.88316
Coulombic:	-28.7123

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	412.548
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.85
LogP (Chemaxon):	6.57

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