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Chemical ID: 4162158

Chemical ID:

4162158

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-phenoxy-butanamide

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccccc3

InChi [?]:

InChI=1/C20H20N2O3S/c1-24-16-11-9-15(10-12-16)18-14-26-20(21-18)22-19(23)8-5-13-25-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,18,22,26,17,5,7,4,8,19,10,6,3,21,9,15,12,13,14,16,2,20,11/E:(3,4)(6,7)(9,10)(11,12)/rA:26nCOCCCCCCCCSCNNCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.74513
Area:	612.018
Solvation:	-5.55532
Coulombic:	-41.0748

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	368.45
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.94
LogP (Chemaxon):	4.4

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