(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate

C22H15Cl2NO3S — CID 3608464

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H15Cl2NO3S/c23-15-6-5-7-16(24)14(15)12-22(27)28-13-21(26)25-17-8-1-3-10-19(17)29-20-11-4-2-9-18(20)25/h1-11H,12-13H2
InChIKeyTZZJYBYKNXQVEJ-UHFFFAOYSA-N
MW444.34 g/mol
LogP5.91
Rot. Bonds4

About (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate

(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate (PubChem CID 3608464) has the molecular formula C22H15Cl2NO3S and a molecular weight of 444.34 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate
PubChem CID3608464
Molecular FormulaC22H15Cl2NO3S
Molecular Weight444.34 g/mol
Exact Mass443.01
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H15Cl2NO3S/c23-15-6-5-7-16(24)14(15)12-22(27)28-13-21(26)25-17-8-1-3-10-19(17)29-20-11-4-2-9-18(20)25/h1-11H,12-13H2
InChIKeyTZZJYBYKNXQVEJ-UHFFFAOYSA-N
XLogP5.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.34
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-phenylphenyl)acetate
CID 3526658
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
(2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4-dimethylphenyl)acetate
CID 7904861
(2-oxo-2-phenothiazin-10-ylethyl) 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4043095
(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
CID 2092512
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2363984
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
CID 7842440
(2-oxo-2-phenothiazin-10-ylethyl) naphthalene-1-carboxylate
CID 3438977
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
(2-oxo-2-phenothiazin-10-ylethyl) but-2-enoate
CID 4999906
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-4-fluorobenzoate
CID 16529461
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate (CID 3608464) is (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate is O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate?
The InChIKey is TZZJYBYKNXQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO3S/c23-15-6-5-7-16(24)14(15)12-22(27)28-13-21(26)25-17-8-1-3-10-19(17)29-20-11-4-2-9-18(20)25/h1-11H,12-13H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate has a molecular weight of 444.34 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 3608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).