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Chemical ID: 7296285

Chemical ID:

7296285

Name [?]:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenoxyethoxy)benzamide

SMILES [?]:

CCSc1nnc(s1)NC(=O)c2ccccc2OCCOc3ccccc3

InChi [?]:

InChI=1/C19H19N3O3S2/c1-2-26-19-22-21-18(27-19)20-17(23)15-10-6-7-11-16(15)25-13-12-24-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,25,24,26,14,15,23,27,13,16,20,19,22,12,17,10,7,4,9,6,5,11,21,18,3,8/E:(4,5)(8,9)/rA:27nCCSCNNCSNCOCCCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₃S₂
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.44529
Area:	643.134
Solvation:	-6.63305
Coulombic:	-41.414

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	401.505
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.75
LogP (Chemaxon):	4.19

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