10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine

C22H13N3SSe — CID 140852994

IUPAC10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)[se]c1nccnc12
InChIInChI=1S/C22H13N3SSe/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H
InChIKeyVVOHVATUNIHGFL-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.77
Rot. Bonds1

About 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine

10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine (PubChem CID 140852994) has the molecular formula C22H13N3SSe and a molecular weight of 430.39 g/mol. Its IUPAC name is 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine.

Molecular Properties

Compound Name10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine
PubChem CID140852994
Molecular FormulaC22H13N3SSe
Molecular Weight430.39 g/mol
Exact Mass431.00
IUPAC Name10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)[se]c1nccnc12
InChIInChI=1S/C22H13N3SSe/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H
InChIKeyVVOHVATUNIHGFL-UHFFFAOYSA-N
XLogP5.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine?
The IUPAC name of 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine (CID 140852994) is 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine.
What is the SMILES notation for 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine?
The canonical SMILES for 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)[se]c1nccnc12.
What is the InChIKey of 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine?
The InChIKey is VVOHVATUNIHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3SSe/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H.
What are the key properties of 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine?
10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine has a molecular weight of 430.39 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine is sourced from PubChem (CID 140852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).