Chemical ID: 5721232

CC(C)CNC(=O)CSc1nncn1c2ccccc2
Chemical ID:
5721232
Name [?]:
N-isobutyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CC(C)CNC(=O)CSc1nncn1c2ccccc2
InChi [?]:
InChI=1/C14H18N4OS/c1-11(2)8-15-13(19)9-20-14-17-16-10-18(14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,20,4,8,13,2,15,6,10,5,12,11,14,7,9/E:(1,2)(4,5)(6,7)/rA:20nCCCCNCOCSCNNCNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.96576
Area:508.839
Solvation:-2.75521
Coulombic:-32.7191
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.385
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.66
LogP (Chemaxon):1.47

Name Annotations

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Descriptor Annotations

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