(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate

C22H16FNO4S — CID 7842440

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H16FNO4S/c23-15-7-1-4-10-18(15)27-14-22(26)28-13-21(25)24-16-8-2-5-11-19(16)29-20-12-6-3-9-17(20)24/h1-12H,13-14H2
InChIKeyHCDVMUOICPFKIC-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.58
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate

(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate (PubChem CID 7842440) has the molecular formula C22H16FNO4S and a molecular weight of 409.44 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
PubChem CID7842440
Molecular FormulaC22H16FNO4S
Molecular Weight409.44 g/mol
Exact Mass409.08
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H16FNO4S/c23-15-7-1-4-10-18(15)27-14-22(26)28-13-21(25)24-16-8-2-5-11-19(16)29-20-12-6-3-9-17(20)24/h1-12H,13-14H2
InChIKeyHCDVMUOICPFKIC-UHFFFAOYSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
2-(2-oxo-2-phenothiazin-10-ylethoxy)benzoic acid
CID 23740235
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate
CID 3608464
(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
CID 8607701
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-phenylphenyl)acetate
CID 3526658
(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
CID 2586236
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-4-fluorobenzoate
CID 16529461
(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
CID 2092512
(2-oxo-2-phenothiazin-10-ylethyl) but-2-enoate
CID 4999906
(2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4-dimethylphenyl)acetate
CID 7904861

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate (CID 7842440) is (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate is O=C(COc1ccccc1F)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate?
The InChIKey is HCDVMUOICPFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4S/c23-15-7-1-4-10-18(15)27-14-22(26)28-13-21(25)24-16-8-2-5-11-19(16)29-20-12-6-3-9-17(20)24/h1-12H,13-14H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate has a molecular weight of 409.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).