10-[3-(2,2-Dimethyl-1-pyrrolidinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine

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Basic information

CAS: 3934-35-8
Standard SMILES: CC1(C)CCCN1CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIKey: LJMSTQZFJHHUFZ-UHFFFAOYSA-N
Molecular formula: C22H25F3N2S
Average molar mass: 406.5 g/mol
Monoisotopic mass: 406.16905447

Names & identifiers

Preferred name: 10-[3-(2,2-Dimethyl-1-pyrrolidinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
IUPAC: 10-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Names & synonyms

DTXSID80113485010-[3-(2,2-Dimethyl-1-pyrrolidinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine3934-35-810-[3-(2,2-Dimethylpyrrolidin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine

Database identifiers

CAS: 3934-35-8
PubChem CID: 408671
DTXSID: DTXSID801134850

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 31.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 538

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Compound notes

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