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Chemical ID: 6292511

Chemical ID:

6292511

Name [?]:

N-(4-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide

SMILES [?]:

c1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3)O

InChi [?]:

InChI=1/C15H13N5O2S/c21-13-8-6-11(7-9-13)16-14(22)10-23-15-17-18-19-20(15)12-4-2-1-3-5-12/h1-9,21H,10H2,(H,16,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,18,22,19,21,13,17,4,20,14,8,16,9,10,11,7,23,15,12/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCNCNNNSCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃N₅O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.75965
Area:	529.019
Solvation:	-3.46584
Coulombic:	-43.1289

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	327.362
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	0.98
LogP (Chemaxon):	2.97

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