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Chemical ID: 4161362

Cc1ccc(c(c1)C)OCC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4

Chemical ID:

4161362

Name [?]:

2-(2,4-dimethylphenoxy)-N-[4-(4-phenylphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1ccc(c(c1)C)OCC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C25H22N2O2S/c1-17-8-13-23(18(2)14-17)29-15-24(28)27-25-26-22(16-30-25)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,8,28,27,29,26,30,3,21,23,20,24,4,7,10,17,2,6,25,22,19,16,5,11,14,15,13,12,9,18/E:(4,5)(6,7)(9,10)(11,12)/rA:30nCCCCCCCCOCCONCNCCSCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7804
Area:	665.192
Solvation:	-4.84943
Coulombic:	-36.6643

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.52
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.11
LogP (Chemaxon):	6.84

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