Basic information
- CAS
61325-77-7- Standard SMILES
CCc1cc2c(s1)Nc1cc(C)ccc1N=C2N1CCN(C)CC1- InChIKey
MABIPRXOTXEGCU-UHFFFAOYSA-N- Molecular formula
- C19H24N4S
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.17216796
Names & identifiers
- Preferred name
- 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-8-methyl-4-(4-methyl-1-piperazinyl)-
- IUPAC
- 2-ethyl-8-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Names & synonyms
BRN 103458510H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-8-methyl-4-(4-methyl-1-piperazinyl)-61325-77-7DTXSID402102272-Ethyl-8-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepineRefChem:236093DTXCID40132718CHEMBL3544252-ethyl-8-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Database identifiers
- CAS
61325-77-7- PubChem CID
- 3045283
- DTXSID
DTXSID40210227- ChEMBL
CHEMBL354425
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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