(4-methylphenyl) phenothiazine-10-carboxylate

C20H15NO2S — CID 24905594

IUPAC(4-methylphenyl) phenothiazine-10-carboxylate
SMILESCc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H15NO2S/c1-14-10-12-15(13-11-14)23-20(22)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKeyHXQRAZTUUZVKLB-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.80
Rot. Bonds1

About (4-methylphenyl) phenothiazine-10-carboxylate

(4-methylphenyl) phenothiazine-10-carboxylate (PubChem CID 24905594) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is (4-methylphenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) phenothiazine-10-carboxylate
PubChem CID24905594
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name(4-methylphenyl) phenothiazine-10-carboxylate
SMILESCc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H15NO2S/c1-14-10-12-15(13-11-14)23-20(22)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKeyHXQRAZTUUZVKLB-UHFFFAOYSA-N
XLogP5.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) phenothiazine-10-carboxylate?
The IUPAC name of (4-methylphenyl) phenothiazine-10-carboxylate (CID 24905594) is (4-methylphenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (4-methylphenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (4-methylphenyl) phenothiazine-10-carboxylate is Cc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of (4-methylphenyl) phenothiazine-10-carboxylate?
The InChIKey is HXQRAZTUUZVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-14-10-12-15(13-11-14)23-20(22)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13H,1H3.
What are the key properties of (4-methylphenyl) phenothiazine-10-carboxylate?
(4-methylphenyl) phenothiazine-10-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 24905594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).