[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate

C17H14ClNO3S — CID 9119323

IUPAC[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO3S/c1-10(22-11(2)20)17(21)19-13-5-3-4-6-15(13)23-16-8-7-12(18)9-14(16)19/h3-10H,1-2H3/t10-/m1/s1
InChIKeySNZXOPRQGMCYPL-SNVBAGLBSA-N
MW347.82 g/mol
LogP4.42
Rot. Bonds2

About [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate

[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate (PubChem CID 9119323) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
PubChem CID9119323
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO3S/c1-10(22-11(2)20)17(21)19-13-5-3-4-6-15(13)23-16-8-7-12(18)9-14(16)19/h3-10H,1-2H3/t10-/m1/s1
InChIKeySNZXOPRQGMCYPL-SNVBAGLBSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
CID 2898826
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
butyl-[2-[2-[butyl(carboxy)amino]ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl]carbamic acid
CID 90474500
(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
CID 91689668
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 42985238
N-[(E)-benzylideneamino]-2-chlorophenothiazine-10-carboxamide
CID 14027132
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772493
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
CID 23803142
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate (CID 9119323) is [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate is CC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate?
The InChIKey is SNZXOPRQGMCYPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-10(22-11(2)20)17(21)19-13-5-3-4-6-15(13)23-16-8-7-12(18)9-14(16)19/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate?
[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate has a molecular weight of 347.82 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 9119323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).