8-[3-(4-Benzothiazol-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione

HCID 14280593
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Basic information

Standard SMILES
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2nc3ccccc3s2)CC1
InChIKey
VKCFJXPSFRUTDE-UHFFFAOYSA-N
Molecular formula
C23H30N4O3S
Average molar mass
442.6 g/mol
Monoisotopic mass
442.20386201

Names & identifiers

Preferred name
8-[3-(4-Benzothiazol-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione
IUPAC
8-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione

Names & synonyms

CHEMBL418340SCHEMBL10519898VKCFJXPSFRUTDE-UHFFFAOYSA-NBDBM500074908-[3-(4-Benzothiazol-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione8-[3-[4-(2-Benzothiazolyl)-1-piperazinyl]propyloxy]-8-azaspiro[4.5]decan-7,9-dione

Database identifiers

PubChem CID
14280593
ChEMBL
CHEMBL418340
Nikkaji
J386.504E

Properties

Computed structural properties

XLogP
4
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

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