10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide

C22H19NO2S — CID 59572909

IUPAC10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1N2c1cccc2c1OCCC2
InChIInChI=1S/C22H19NO2S/c1-15-11-12-18-21(14-15)26(24)20-10-3-2-8-17(20)23(18)19-9-4-6-16-7-5-13-25-22(16)19/h2-4,6,8-12,14H,5,7,13H2,1H3
InChIKeyHROZYMAZPDOCOY-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.27
Rot. Bonds1

About 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide

10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide (PubChem CID 59572909) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide.

Molecular Properties

Compound Name10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide
PubChem CID59572909
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1N2c1cccc2c1OCCC2
InChIInChI=1S/C22H19NO2S/c1-15-11-12-18-21(14-15)26(24)20-10-3-2-8-17(20)23(18)19-9-4-6-16-7-5-13-25-22(16)19/h2-4,6,8-12,14H,5,7,13H2,1H3
InChIKeyHROZYMAZPDOCOY-UHFFFAOYSA-N
XLogP5.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide?
The IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide (CID 59572909) is 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide.
What is the SMILES notation for 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide?
The canonical SMILES for 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide is Cc1ccc2c(c1)S(=O)c1ccccc1N2c1cccc2c1OCCC2.
What is the InChIKey of 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide?
The InChIKey is HROZYMAZPDOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-15-11-12-18-21(14-15)26(24)20-10-3-2-8-17(20)23(18)19-9-4-6-16-7-5-13-25-22(16)19/h2-4,6,8-12,14H,5,7,13H2,1H3.
What are the key properties of 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide?
10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide has a molecular weight of 361.47 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide is sourced from PubChem (CID 59572909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).