Basic information
- CAS
414878-28-7- Standard SMILES
O=C(CCCCCCN1CCN2CCCC2C1)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
QDZLSZKODUOQHK-UHFFFAOYSA-N- Molecular formula
- C26H32ClN3OS
- Average molar mass
- 470.1 g/mol
Names & identifiers
- Preferred name
- 2-chloro-10-(7-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylheptanoyl)-10H-phenothiazine
- IUPAC
- 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)heptan-1-one
- English name
- 2-chloro-10-(7-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylheptanoyl)-10H-phenothiazine
- Molecular formula
- C26H32ClN3OS
- Molecular weight
- 470.06978
Names & synonyms
AG-690/137025392-chloro-10-(7-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylheptanoyl)-10H-phenothiazine
Database identifiers
- CAS
414878-28-7
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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