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Chemical ID: 5650267

Chemical ID:

5650267

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,4-dimethyl-benzamide

SMILES [?]:

Cc1ccc(cc1C)C(=O)Nc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,8,24,3,4,18,22,19,21,6,15,2,7,17,5,20,14,9,12,13,11,10,23,16/E:(6,7)(8,9)/rA:24nCCCCCCCCCONCNCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.2791
Area:	553.922
Solvation:	-3.56891
Coulombic:	-35.8461

Bond Count [?]

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

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.62
LogP (Chemaxon):	5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value