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Chemical ID: 6215880

Chemical ID:

6215880

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)OC

InChi [?]:

InChI=1/C18H16N2O3S/c1-22-14-8-6-12(7-9-14)16-11-24-18(19-16)20-17(21)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,19,18,20,5,7,4,8,22,10,6,17,3,21,9,15,12,13,14,16,2,23,11/E:(6,7)(8,9)/rA:24nCOCCCCCCCCSCNNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.78438
Area:	552.646
Solvation:	-5.03177
Coulombic:	-42.1554

Bond Count [?]

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

Chemical Properties

Molecular Weight:	340.397
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.66
LogP (Chemaxon):	3.94

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