Basic information
- CAS
29465-22-3- Standard SMILES
CN1CCN(CCCn2c3c(c4ccccc42)C(C(F)(F)F)Sc2ccccc2-3)CC1.Cl.Cl- InChIKey
NOHSJALNHBWMIB-UHFFFAOYSA-N- Molecular formula
- C24H28Cl2F3N3S
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 517.133309
Names & identifiers
- Preferred name
- (1)Benzothiopyrano(4,3-b)indole, 6,11-dihydro-11-(3-(4-methyl-1-piperazinyl)propyl)-7(or 9)-(trifluoromethyl)-, dihydrochloride
- IUPAC
- 11-[3-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)-6H-thiochromeno[4,3-b]indole;dihydrochloride
Names & synonyms
29465-22-3(1)Benzothiopyrano(4,3-b)indole, 6,11-dihydro-11-(3-(4-methyl-1-piperazinyl)propyl)-7(or 9)-(trifluoromethyl)-, dihydrochlorideRefChem:203910DTXSID3095197511-[3-(4-Methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)-6,11-dihydro[1]benzothiopyrano[4,3-b]indole--hydrogen chloride (1/2)
Database identifiers
- CAS
29465-22-3- PubChem CID
- 34599
- DTXSID
DTXSID30951975
Properties
Computed structural properties
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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