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Chemical ID: 7027165

Chemical ID:

7027165

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C18H16FN3O2S/c1-2-24-17-9-12(3-8-16(17)23)10-20-22-18-21-15(11-25-18)13-4-6-14(19)7-5-13/h3-11,23H,2H2,1H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,7,20,24,21,23,8,5,11,17,6,19,22,16,9,4,14,25,12,15,13,10,3,18/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCNNCNCCSCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆FN₃O₂S
All Atoms:	41
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.94391
Area:	582.101
Solvation:	-5.60861
Coulombic:	-43.802

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	357.403
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.27
LogP (Chemaxon):	5.09

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