Basic information
- Standard SMILES
COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C4CCCC4)nc32)CCN1C.Cl.Cl- InChIKey
BYMXFUGWAKSZIQ-RMRYJAPISA-N- Molecular formula
- C23H33Cl2N5OS
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- (S)-10-[3-(2-Methoxyethyl)-4-methylpiperazin-1-yl]-2-cyclopentyl 4H-3-thia-1,4,9-triazabenzo[f]azulene dihydrochloride
- IUPAC
- 2-cyclopentyl-4-[(3S)-3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL4837262BYMXFUGWAKSZIQ-RMRYJAPISA-N(S)-10-[3-(2-Methoxyethyl)-4-methylpiperazin-1-yl]-2-cyclopentyl 4H-3-thia-1,4,9-triazabenzo[f]azulene dihydrochloride
Database identifiers
- PubChem CID
- 136388587
Properties
Computed structural properties
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
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