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Chemical ID: 4161325

CC(C)(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4

Chemical ID:

4161325

Name [?]:

N-[4-(4-phenylphenyl)thiazol-2-yl]-2-(2-tert-butylphenoxy)-acetamide

SMILES [?]:

CC(C)(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C27H26N2O2S/c1-27(2,3)22-11-7-8-12-24(22)31-17-25(30)29-26-28-23(18-32-26)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,3,4,30,29,31,7,8,28,32,6,9,23,25,22,26,12,19,27,24,21,5,18,10,13,16,2,17,15,14,11,20/E:(1,2,3)(5,6)(9,10)(13,14)(15,16)/rA:32nCCCCCCCCCCOCCONCNCCSCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6397
Area:	691.089
Solvation:	-4.63756
Coulombic:	-37.8295

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.574
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.06
LogP (Chemaxon):	7.53

Name Annotations

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

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