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Chemical ID: 5856166

CCc1c(nc(s1)NC(=O)c2ccccc2Oc3ccccc3)c4ccccc4

Chemical ID:

5856166

Name [?]:

N-(5-ethyl-4-phenyl-thiazol-2-yl)-2-phenoxy-benzamide

SMILES [?]:

CCc1c(nc(s1)NC(=O)c2ccccc2Oc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C24H20N2O2S/c1-2-21-22(17-11-5-3-6-12-17)25-24(29-21)26-23(27)19-15-9-10-16-20(19)28-18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,27,21,26,28,20,22,13,14,25,29,19,23,12,15,24,18,11,16,3,4,9,6,5,8,10,17,7/E:(5,6)(7,8)(11,12)(13,14)/rA:29nCCCCNCSNCOCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;s20;d21;d18s22;s4;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3078
Area:	625.658
Solvation:	-4.33365
Coulombic:	-37.2144

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	400.494
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.41
LogP (Chemaxon):	6.34

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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