Basic information
- CAS
20884-95-1- Standard SMILES
CC(C)S(=O)(=O)c1ccc(C2NCCc3cc4c(cc32)OCO4)cc1- InChIKey
SRKFWJCAFAQJMD-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-
- IUPAC
- 5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 5,6,7,8-Tetrahydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C19H21NO4S
- Molecular weight
- 359.44
Names & synonyms
20884-95-1BRN 16048585,6,7,8-Tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-1,3-dioxolo(4,5-g)isoquinoline1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-methylenedioxyisoquinoline1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-RefChem:219020DTXSID809431485-[4-(Propane-2-sulfonyl)phenyl]-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline5,6,7,8-Tetrahydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-5-[4-[(1-methylethyl)sulfonyl]phenyl]-
Database identifiers
- CAS
20884-95-1- PubChem CID
- 30346
- DTXSID
DTXSID80943148- Nikkaji
- J83.744J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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