Basic information
- CAS
136334-14-0- Standard SMILES
Clc1cccc(C2NCc3sccc3-n3cccc32)c1- InChIKey
BFMMSKIJKIAIGN-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2S
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0487973
Names & identifiers
- Preferred name
- 4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(3-chlorophenyl)-
- IUPAC
- 9-(3-chlorophenyl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
Names & synonyms
BRN 4844587136334-14-05,6-Dihydro-6-(3-chlorophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(3-chlorophenyl)-RefChem:297885DTXSID709293306-(3-Chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine
Database identifiers
- CAS
136334-14-0- PubChem CID
- 3077902
- DTXSID
DTXSID70929330- Nikkaji
- J423.259C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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