(3-methoxyphenyl) phenothiazine-10-carboxylate

C20H15NO3S — CID 24905596

IUPAC(3-methoxyphenyl) phenothiazine-10-carboxylate
SMILESCOc1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H15NO3S/c1-23-14-7-6-8-15(13-14)24-20(22)21-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)21/h2-13H,1H3
InChIKeyUVKJOYFYOPXYID-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.50
Rot. Bonds2

About (3-methoxyphenyl) phenothiazine-10-carboxylate

(3-methoxyphenyl) phenothiazine-10-carboxylate (PubChem CID 24905596) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (3-methoxyphenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl) phenothiazine-10-carboxylate
PubChem CID24905596
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name(3-methoxyphenyl) phenothiazine-10-carboxylate
SMILESCOc1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H15NO3S/c1-23-14-7-6-8-15(13-14)24-20(22)21-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)21/h2-13H,1H3
InChIKeyUVKJOYFYOPXYID-UHFFFAOYSA-N
XLogP5.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) phenothiazine-10-carboxylate?
The IUPAC name of (3-methoxyphenyl) phenothiazine-10-carboxylate (CID 24905596) is (3-methoxyphenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (3-methoxyphenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (3-methoxyphenyl) phenothiazine-10-carboxylate is COc1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of (3-methoxyphenyl) phenothiazine-10-carboxylate?
The InChIKey is UVKJOYFYOPXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-23-14-7-6-8-15(13-14)24-20(22)21-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)21/h2-13H,1H3.
What are the key properties of (3-methoxyphenyl) phenothiazine-10-carboxylate?
(3-methoxyphenyl) phenothiazine-10-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 24905596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).