Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-
Basic information
- CAS
136779-94-7- Standard SMILES
CCCN1Cc2cccc3[nH]c(=S)n(c23)CC1C- InChIKey
MCPJZHMZVKLMDI-UHFFFAOYSA-N- Molecular formula
- C14H19N3S
- Average molar mass
- 261.39 g/mol
- Monoisotopic mass
- 261.12996879
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-
- IUPAC
- 11-methyl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Names & synonyms
R80806136779-94-7CHEMBL67451Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, (1)-Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, (1)-SCHEMBL9531050DTXSID40929544BDBM500102165-Methyl-6-propyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol7-propyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione
Show more names
8-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione
Database identifiers
- CAS
136779-94-7- PubChem CID
- 3000351
- DTXSID
DTXSID40929544- ChEMBL
CHEMBL67451- Nikkaji
- J449.422I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…