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Chemical ID: 3855832

Chemical ID:

3855832

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-methyl-cyclohexanecarboxamide

SMILES [?]:

CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C18H22N2O2S/c1-20(17(21)14-6-4-3-5-7-14)18-19-16(12-23-18)13-8-10-15(22-2)11-9-13/h8-12,14H,3-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,15,21,20,22,19,23,9,13,10,12,6,8,18,11,5,16,3,4,2,17,14,7/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCNCNCCSCCCCCCOCCOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s2;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70593
Area:	533.367
Solvation:	-3.62823
Coulombic:	-30.2283

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	330.446
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.08
LogP (Chemaxon):	4.11

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