ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7340681

Chemical ID:

7340681

Name [?]:

N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(2-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C18H15ClN2O2S/c1-12-4-2-3-5-16(12)23-10-17(22)21-18-20-15(11-24-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,19,23,20,22,9,16,2,18,21,15,7,10,13,24,14,12,11,8,17/E:(6,7)(8,9)/rA:24nCCCCCCCOCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅ClN₂O₂S
All Atoms:	39
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.78305
Area:	570.972
Solvation:	-4.49125
Coulombic:	-35.5248

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	358.843
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.36
LogP (Chemaxon):	5.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value