4-[2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]morpholine

HCID 425239

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Basic information

CAS: 66421-99-6
Standard SMILES: FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCN3CCOCC3)CC1)c1ccccc1S2
InChIKey: KXYSYSJXECFHRI-UHFFFAOYSA-N
Molecular formula: C26H33F3N4OS
Average molar mass: 506.6 g/mol
Monoisotopic mass: 506.23271735

Names & identifiers

Preferred name: 4-[2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]morpholine
IUPAC: 4-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]morpholine

Names & synonyms

4-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]morpholineNSC17178366421-99-6SCHEMBL23353448DTXSID20329947KXYSYSJXECFHRI-UHFFFAOYSA-NNSC-17178310-(3-{4-[2-(Morpholin-4-yl)ethyl]piperazin-1-yl}propyl)-2-(trifluoromethyl)-10H-phenothiazine

Database identifiers

CAS: 66421-99-6
PubChem CID: 425239
DTXSID: DTXSID20329947

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 47.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 657

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