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Chemical ID: 7263425

Chemical ID:

7263425

Name [?]:

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-1-methyl-ethyl)-acetamide

SMILES [?]:

CC(COC)NC(=O)CSc1nnnn1c2ccc(cc2)O

InChi [?]:

InChI=1/C13H17N5O3S/c1-9(7-21-2)14-12(20)8-22-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,14,20)

InChi Info:

AuxInfo=1/1/N:1,5,17,21,18,20,3,9,2,16,19,7,11,6,12,13,14,15,22,8,4,10/E:(3,4)(5,6)/rA:22cCCCOCNCOCSCNNNNCCCCCCO/rB:s1;s2;s3;s4;s2;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇N₅O₃S
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.84298
Area:	535.906
Solvation:	-4.55467
Coulombic:	-50.2406

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	323.372
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.11
LogP (Chemaxon):	1.06

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