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Chemical ID: 5618038

Chemical ID:

5618038

Name [?]:

2-[2-(4-methoxyphenyl)imino-4-phenyl-thiazol-3-yl]ethanol

SMILES [?]:

COc1ccc(cc1)N=c2n(c(cs2)c3ccccc3)CCO

InChi [?]:

InChI=1/C18H18N2O2S/c1-22-16-9-7-15(8-10-16)19-18-20(11-12-21)17(13-23-18)14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,17,19,16,20,5,7,4,8,21,22,13,15,6,3,12,10,9,11,23,2,14/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCCCCCNCNCCSCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s11;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.32233
Area:	487.387
Solvation:	-3.86235
Coulombic:	-38.9018

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	326.414
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.96
LogP (Chemaxon):	4.43

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