Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
Basic information
- CAS
131645-65-3- Standard SMILES
C[C@H]1Cn2c(=S)[nH]c3cccc(c32)CN1CC1CC1- InChIKey
AKFJHUREZCFDBB-JTQLQIEISA-N- Molecular formula
- C15H19N3S
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.12996879
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
- IUPAC
- (11S)-10-(cyclopropylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Names & synonyms
131645-65-3Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-CHEMBL487502cyclopropylmethyl(methyl)[?]thioneImidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-SCHEMBL7908075DTXSID50157154BDBM50480209(5S)-6-(Cyclopropylmethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
Database identifiers
- CAS
131645-65-3- PubChem CID
- 3000349
- DTXSID
DTXSID50157154- ChEMBL
CHEMBL487502- Nikkaji
- J449.420B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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