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Chemical ID: 6146430

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C(C)(C)C)C

Chemical ID:

6146430

Name [?]:

N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(4-methyl-2-tert-butyl-phenoxy)-acetamide

SMILES [?]:

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C(C)(C)C)C

InChi [?]:

InChI=1/C24H28N2O3S/c1-6-28-18-10-8-17(9-11-18)20-15-30-23(25-20)26-22(27)14-29-21-12-7-16(2)13-19(21)24(3,4)5/h7-13,15H,6,14H2,1-5H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,30,27,28,29,2,22,6,8,5,9,21,24,18,11,23,7,4,25,10,20,16,13,26,14,15,17,3,19,12/E:(3,4,5)(8,9)(10,11)/rA:30nCCOCCCCCCCCSCNNCOCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s26;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3967
Area:	677.794
Solvation:	-5.54817
Coulombic:	-42.574

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.557
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.89
LogP (Chemaxon):	6.4

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