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Chemical ID: 4153964

Chemical ID:

4153964

Name [?]:

4-(3-methylphenoxy)-N-(4-phenylthiazol-2-yl)-butanamide

SMILES [?]:

Cc1cccc(c1)OCCCC(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C20H20N2O2S/c1-15-7-5-10-17(13-15)24-12-6-11-19(23)22-20-21-18(14-25-20)16-8-3-2-4-9-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,4,10,3,21,25,5,11,9,7,18,2,20,6,17,12,15,16,14,13,8,19/E:(3,4)(8,9)/rA:25nCCCCCCCOCCCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₂S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5428
Area:	591.607
Solvation:	-4.24735
Coulombic:	-34.7545

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.451
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.46
LogP (Chemaxon):	5.12

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