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Chemical ID: 7315176

Chemical ID:

7315176

Name [?]:

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1)NC(=O)CSc2nnnn2c3ccc(cc3)O

InChi [?]:

InChI=1/C16H15N5O3S/c1-24-14-8-2-11(3-9-14)17-15(23)10-25-16-18-19-20-21(16)12-4-6-13(22)7-5-12/h2-9,22H,10H2,1H3,(H,17,23)

InChi Info:

AuxInfo=1/1/N:1,5,7,20,24,21,23,4,8,12,6,19,22,3,10,14,9,15,16,17,18,25,11,2,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCOCCCCCCNCOCSCNNNNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅N₅O₃S
All Atoms:	40
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32416
Area:	566.921
Solvation:	-4.84886
Coulombic:	-49.1132

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	357.388
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.32
LogP (Chemaxon):	2.71

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