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Chemical ID: 7027166

Chemical ID:

7027166

Name [?]:

2-ethoxy-4-[[4-(4-methoxyphenyl)thiazol-2-yl]aminoiminomethyl]phenol

SMILES [?]:

CCOc1cc(ccc1O)C=NNc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C19H19N3O3S/c1-3-25-18-10-13(4-9-17(18)23)11-20-22-19-21-16(12-26-19)14-5-7-15(24-2)8-6-14/h4-12,23H,3H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,26,2,7,20,24,21,23,8,5,11,17,6,19,22,16,9,4,14,12,15,13,10,25,3,18/E:(5,6)(7,8)/rA:26nCCOCCCCCCOCNNCNCCSCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₃S
All Atoms:	45
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.33945
Area:	616.867
Solvation:	-6.08222
Coulombic:	-47.1211

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	369.439
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.02
LogP (Chemaxon):	4.7

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