ALBITIAZOLIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HKM715W3UT

Structure
InChI Key UZPXHZIQHWKNPF-UHFFFAOYSA-N
Smile Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C
InChI
InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H42N2O2S2+2
Molecular Weight 454.75
AlogP 4.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 48.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL1183040
EPA CompTox DTXSID10226315
FDA SRS HKM715W3UT
Guide to Pharmacology 10407
PubChem 11377023
SureChEMBL SCHEMBL7533824
CONTENTS