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Chemical ID: 7255207

Chemical ID:

7255207

Name [?]:

4-benzo[1,3]dioxol-5-yl-2-(p-tolyl)thiazole

SMILES [?]:

Cc1ccc(cc1)c2nc(cs2)c3ccc4c(c3)OCO4

InChi [?]:

InChI=1/C17H13NO2S/c1-11-2-4-12(5-3-11)17-18-14(9-21-17)13-6-7-15-16(8-13)20-10-19-15/h2-9H,10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,14,15,18,11,20,2,5,13,10,16,17,8,9,21,19,12/E:(2,3)(4,5)/rA:21nCCCCCCCCNCCSCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₃NO₂S
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32382
Area:	484.372
Solvation:	-2.78547
Coulombic:	-24.2373

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	295.357
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.59
LogP (Chemaxon):	4.93

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