10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-8-fluoro-4-(4-methyl-1-piperazinyl)-, maleate
Basic information
- CAS
61431-30-9- Standard SMILES
CCc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCN(C)CC1.O=C(O)/C=C/C(=O)O- InChIKey
CSPCOZYINQTTHH-WLHGVMLRSA-N- Molecular formula
- C22H25FN4O4S
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.15805463
Names & identifiers
- Preferred name
- 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-8-fluoro-4-(4-methyl-1-piperazinyl)-, maleate
- IUPAC
- (E)-but-2-enedioic acid;2-ethyl-8-fluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Names & synonyms
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-8-fluoro-4-(4-methyl-1-piperazinyl)-, maleate61431-30-9RefChem:10573152-Ethyl-8-fluoro-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine maleate
Database identifiers
- CAS
61431-30-9- PubChem CID
- 6446516
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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