10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine

C24H15F2NO2S2 — CID 142713020

IUPAC10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine
SMILESFc1cc(F)cc(N2c3ccccc3Sc3cc(-c4scc5c4OCCO5)ccc32)c1
InChIInChI=1S/C24H15F2NO2S2/c25-15-10-16(26)12-17(11-15)27-18-3-1-2-4-21(18)31-22-9-14(5-6-19(22)27)24-23-20(13-30-24)28-7-8-29-23/h1-6,9-13H,7-8H2
InChIKeyLDQFGLFFIBUFJL-UHFFFAOYSA-N
MW451.52 g/mol
LogP7.40
Rot. Bonds2

About 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine

10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine (PubChem CID 142713020) has the molecular formula C24H15F2NO2S2 and a molecular weight of 451.52 g/mol. Its IUPAC name is 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine.

Molecular Properties

Compound Name10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine
PubChem CID142713020
Molecular FormulaC24H15F2NO2S2
Molecular Weight451.52 g/mol
Exact Mass451.05
IUPAC Name10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine
SMILESFc1cc(F)cc(N2c3ccccc3Sc3cc(-c4scc5c4OCCO5)ccc32)c1
InChIInChI=1S/C24H15F2NO2S2/c25-15-10-16(26)12-17(11-15)27-18-3-1-2-4-21(18)31-22-9-14(5-6-19(22)27)24-23-20(13-30-24)28-7-8-29-23/h1-6,9-13H,7-8H2
InChIKeyLDQFGLFFIBUFJL-UHFFFAOYSA-N
XLogP7.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine?
The IUPAC name of 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine (CID 142713020) is 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine.
What is the SMILES notation for 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine?
The canonical SMILES for 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine is Fc1cc(F)cc(N2c3ccccc3Sc3cc(-c4scc5c4OCCO5)ccc32)c1.
What is the InChIKey of 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine?
The InChIKey is LDQFGLFFIBUFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2NO2S2/c25-15-10-16(26)12-17(11-15)27-18-3-1-2-4-21(18)31-22-9-14(5-6-19(22)27)24-23-20(13-30-24)28-7-8-29-23/h1-6,9-13H,7-8H2.
What are the key properties of 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine?
10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine has a molecular weight of 451.52 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine is sourced from PubChem (CID 142713020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).