(S)-10-[4-Ethyl-3-(2-methoxyethyl)piperazin-1-yl]-2-isopropyl-4H-3-thia-1,4,9-triazabenzo[f]azulene dihydrochloride
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Basic information
- Standard SMILES
CCN1CCN(C2=Nc3ccccc3Nc3sc(C(C)C)nc32)C[C@@H]1CCOC.Cl.Cl- InChIKey
AHWZFGVRNQTBOZ-SQKCAUCHSA-N- Molecular formula
- C22H33Cl2N5OS
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- (S)-10-[4-Ethyl-3-(2-methoxyethyl)piperazin-1-yl]-2-isopropyl-4H-3-thia-1,4,9-triazabenzo[f]azulene dihydrochloride
- IUPAC
- 4-[(3S)-4-ethyl-3-(2-methoxyethyl)piperazin-1-yl]-2-propan-2-yl-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL4845320AHWZFGVRNQTBOZ-SQKCAUCHSA-N(S)-10-[4-Ethyl-3-(2-methoxyethyl)piperazin-1-yl]-2-isopropyl-4H-3-thia-1,4,9-triazabenzo[f]azulene dihydrochloride
Database identifiers
- PubChem CID
- 136384261
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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