CYCLOPENTHIAZIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C03AA07
UNII: 866GEV195O

Structure
InChI Key BKYKPTRYDKTTJY-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O
InChI
InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClN3O4S2
Molecular Weight 379.89
AlogP 1.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 118.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91686
ChEMBL CHEMBL1373254
DrugBank DB13532
DrugCentral 756
EPA CompTox DTXSID4022868
FDA SRS 866GEV195O
Guide to Pharmacology 7899
PubChem 2904
SureChEMBL SCHEMBL49142
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