2-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)acetic acid
Basic information
- CAS
1179362-81-2- Standard SMILES
O=C(O)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21- InChIKey
LCOKCHAGERXEQH-UHFFFAOYSA-N- Molecular formula
- C15H10F3NO2S
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.03843422
Names & identifiers
- Preferred name
- 2-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)acetic acid
- IUPAC
- 2-[2-(trifluoromethyl)phenothiazin-10-yl]acetic acid
Names & synonyms
2-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)acetic acid1179362-81-22-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)aceticacidDTXSID30676616AKOS015856112DB-329097[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]acetic acid
Database identifiers
- CAS
1179362-81-2- PubChem CID
- 46839641
- DTXSID
DTXSID30676616
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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