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Chemical ID: 6157284

Chemical ID:

6157284

Name [?]:

3-cyclohexyl-N-(4-phenylthiazol-2-yl)-propanamide

SMILES [?]:

c1ccc(cc1)c2csc(n2)NC(=O)CCC3CCCCC3

InChi [?]:

InChI=1/C18H22N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:20,1,19,21,2,6,18,22,3,5,16,15,8,17,4,7,13,10,11,12,14,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCSCNNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0866
Area:	536.082
Solvation:	-2.31546
Coulombic:	-28.305

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	314.446
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.38
LogP (Chemaxon):	5.15

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value