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Chemical ID: 4367620

Chemical ID:

4367620

Name [?]:

N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]benzamide

SMILES [?]:

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3)C

InChi [?]:

InChI=1/C19H18N2O2S/c1-3-23-16-11-9-14(10-12-16)17-13(2)24-19(20-17)21-18(22)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,24,2,21,20,22,19,23,6,8,5,9,11,7,18,4,10,16,13,14,15,17,3,12/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCOCCCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5372
Area:	555.329
Solvation:	-3.34604
Coulombic:	-36.7888

Bond Count [?]

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

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.02
LogP (Chemaxon):	4.53

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