Basic information
- CAS
20884-94-0- Standard SMILES
CC(C)S(=O)(=O)c1ccc(C2=NCCc3cc4c(cc32)OCO4)cc1- InChIKey
RBEMBKHIHHDIPM-UHFFFAOYSA-N- Molecular formula
- C19H19NO4S
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.10347926
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(p-(isopropylsulfonyl)phenyl)-
- IUPAC
- 5-(4-propan-2-ylsulfonylphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 7,8-Dihydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C19H19NO4S
- Molecular weight
- 357.42
Names & synonyms
BRN 16021231,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7,8-DIHYDRO-5-(p-(ISOPROPYLSULFONYL)PHENYL)-DTXSID5017501020884-94-03,4-Dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-(methylenedioxy)isoquinoline7,8-Dihydro-5-(p-(isopropylsulfonyl)phenyl)-1,3-dioxolo(4,5-g)isoquinolineRefChem:219032DTXCID30975015-[4-(Propane-2-sulfonyl)phenyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinoline7,8-Dihydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-5-[4-[(1-methylethyl)sulfonyl]phenyl]-
Database identifiers
- CAS
20884-94-0- PubChem CID
- 30345
- DTXSID
DTXSID50175010- Nikkaji
- J83.743A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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