(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate

C24H17NO4S — CID 8742264

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1=Cc2ccccc2OC1
InChIInChI=1S/C24H17NO4S/c26-23(15-29-24(27)17-13-16-7-1-4-10-20(16)28-14-17)25-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)25/h1-13H,14-15H2
InChIKeyKOHGFZGIIKAVQY-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.84
Rot. Bonds3

About (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate

(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate (PubChem CID 8742264) has the molecular formula C24H17NO4S and a molecular weight of 415.47 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate
PubChem CID8742264
Molecular FormulaC24H17NO4S
Molecular Weight415.47 g/mol
Exact Mass415.09
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1=Cc2ccccc2OC1
InChIInChI=1S/C24H17NO4S/c26-23(15-29-24(27)17-13-16-7-1-4-10-20(16)28-14-17)25-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)25/h1-13H,14-15H2
InChIKeyKOHGFZGIIKAVQY-UHFFFAOYSA-N
XLogP4.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8746301
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
(2-oxo-2-phenothiazin-10-ylethyl) 4-(4-methylphenyl)benzoate
CID 23765646
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747314
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate (CID 8742264) is (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate is O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1=Cc2ccccc2OC1.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate?
The InChIKey is KOHGFZGIIKAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4S/c26-23(15-29-24(27)17-13-16-7-1-4-10-20(16)28-14-17)25-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)25/h1-13H,14-15H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate?
(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate is sourced from PubChem (CID 8742264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).