Basic information
- Standard SMILES
NS(=O)(=O)c1cc2c(c(C(=O)N3CCN(c4ncccn4)CC3)c1)OCCO2- InChIKey
JPNWVWMCTXTDPW-UHFFFAOYSA-N- Molecular formula
- C17H19N5O5S
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.1106899
Names & identifiers
- Preferred name
- 1-(2,3-Ethylenedioxy-5-sulfamoylbenzoyl)-4-(2-pyrimidinyl)-piperazine
- IUPAC
- 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
Names & synonyms
SCHEMBL11264542JPNWVWMCTXTDPW-UHFFFAOYSA-N1-(2,3-ethylenedioxy-5-sulfamoylbenzoyl)-4-(2-pyrimidinyl)-piperazine
Database identifiers
- PubChem CID
- 20544739
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 657
Related reactions
7 records
Compound notes
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