7-chloro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine
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Basic information
- Standard SMILES
COCCC1CN(C2=Nc3cc(Cl)ccc3Nc3sc(C)cc32)CCN1C- InChIKey
YLTZJZLGFOKPJN-UHFFFAOYSA-N- Molecular formula
- C20H25ClN4OS
- Average molar mass
- 405 g/mol
- Monoisotopic mass
- 404.1437603
Names & identifiers
- Preferred name
- 7-chloro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine
- IUPAC
- 7-chloro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine
Names & synonyms
SCHEMBL4836301
Database identifiers
- PubChem CID
- 136384342
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 550
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Related reactions
1 records
Compound notes
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