Chemical ID: 6157009

c1ccc(cc1)CSCC(=O)Nn2cnnc2
Chemical ID:
6157009
Name [?]:
2-benzylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILES [?]:
c1ccc(cc1)CSCC(=O)Nn2cnnc2
InChi [?]:
InChI=1/C11H12N4OS/c16-11(14-15-8-12-13-9-15)7-17-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,9,14,17,4,10,15,16,12,13,11,8/E:(2,3)(4,5)(8,9)(12,13)/rA:17nCCCCCCCSCCONNCNNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.14935
Area:443.493
Solvation:-3.93796
Coulombic:-24.7205
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.305
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.24
LogP (Chemaxon):-0.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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