Basic information
- Standard SMILES
O=C1Cc2c(ccc3c2OC(CN2CCN(c4nsc5ccccc45)CC2)CO3)N1- InChIKey
GUUDBJMHVZTNRH-UHFFFAOYSA-N- Molecular formula
- C22H22N4O3S
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinylmethyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one
- IUPAC
- 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
Names & synonyms
SCHEMBL6993728GUUDBJMHVZTNRH-UHFFFAOYSA-N2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinylmethyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one
Database identifiers
- PubChem CID
- 69955293
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
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