4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-
Basic information
- CAS
136334-19-5- Standard SMILES
c1cc2n(c1)-c1ccsc1CNC2c1ccc2c(c1)OCO2- InChIKey
WJDBYUTYFAYFRP-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07759887
Names & identifiers
- Preferred name
- 4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-
- IUPAC
- 9-(1,3-benzodioxol-5-yl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
Names & synonyms
BRN 48457245,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine136334-19-54H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-RefChem:297882DTXSID709293356-(2H-1,3-Benzodioxol-5-yl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine
Database identifiers
- CAS
136334-19-5- PubChem CID
- 3077907
- DTXSID
DTXSID70929335- Nikkaji
- J423.265H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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