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Chemical ID: 5852431

Cc1ccc(cc1)C(=O)Nc2nc(c(s2)c3ccccc3)c4ccc(cc4)c5ccccc5

Chemical ID:

5852431

Name [?]:

4-methyl-N-[5-phenyl-4-(4-phenylphenyl)-thiazol-2-yl]-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)Nc2nc(c(s2)c3ccccc3)c4ccc(cc4)c5ccccc5

InChi [?]:

InChI=1/C29H22N2OS/c1-20-12-14-25(15-13-20)28(32)31-29-30-26(27(33-29)24-10-6-3-7-11-24)23-18-16-22(17-19-23)21-8-4-2-5-9-21/h2-19H,1H3,(H,30,31,32)

InChi Info:

AuxInfo=1/1/N:1,31,19,30,32,18,20,29,33,17,21,3,7,4,6,24,26,23,27,2,28,25,22,16,5,13,14,8,11,12,10,9,15/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:33nCCCCCCCCONCNCCSCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s13;s22;d23;s24;d25;d22s26;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₂N₂OS
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6685
Area:	689.999
Solvation:	-2.58148
Coulombic:	-33.8086

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	446.564
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.73
LogP (Chemaxon):	8.03

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