(2-methoxyphenyl) phenothiazine-10-carboxylate

C20H15NO3S — CID 24905595

IUPAC(2-methoxyphenyl) phenothiazine-10-carboxylate
SMILESCOc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO3S/c1-23-16-10-4-5-11-17(16)24-20(22)21-14-8-2-6-12-18(14)25-19-13-7-3-9-15(19)21/h2-13H,1H3
InChIKeyKQZJYFLCWHHHIK-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.50
Rot. Bonds2

About (2-methoxyphenyl) phenothiazine-10-carboxylate

(2-methoxyphenyl) phenothiazine-10-carboxylate (PubChem CID 24905595) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2-methoxyphenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) phenothiazine-10-carboxylate
PubChem CID24905595
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name(2-methoxyphenyl) phenothiazine-10-carboxylate
SMILESCOc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO3S/c1-23-16-10-4-5-11-17(16)24-20(22)21-14-8-2-6-12-18(14)25-19-13-7-3-9-15(19)21/h2-13H,1H3
InChIKeyKQZJYFLCWHHHIK-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 (2-methoxyphenyl) phenothiazine-10-carboxylate?
The IUPAC name of (2-methoxyphenyl) phenothiazine-10-carboxylate (CID 24905595) is (2-methoxyphenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (2-methoxyphenyl) phenothiazine-10-carboxylate is COc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-methoxyphenyl) phenothiazine-10-carboxylate?
The InChIKey is KQZJYFLCWHHHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-23-16-10-4-5-11-17(16)24-20(22)21-14-8-2-6-12-18(14)25-19-13-7-3-9-15(19)21/h2-13H,1H3.
What are the key properties of (2-methoxyphenyl) phenothiazine-10-carboxylate?
(2-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 (2-methoxyphenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 24905595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).