(5-oxo-10-propylphenothiazin-3-yl)methyl acetate

C18H19NO3S — CID 101184152

IUPAC(5-oxo-10-propylphenothiazin-3-yl)methyl acetate
SMILESCCCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21
InChIInChI=1S/C18H19NO3S/c1-3-10-19-15-6-4-5-7-17(15)23(21)18-11-14(8-9-16(18)19)12-22-13(2)20/h4-9,11H,3,10,12H2,1-2H3
InChIKeyMGNIFABAWIUVDT-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.78
Rot. Bonds4

About (5-oxo-10-propylphenothiazin-3-yl)methyl acetate

(5-oxo-10-propylphenothiazin-3-yl)methyl acetate (PubChem CID 101184152) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (5-oxo-10-propylphenothiazin-3-yl)methyl acetate.

Molecular Properties

Compound Name(5-oxo-10-propylphenothiazin-3-yl)methyl acetate
PubChem CID101184152
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(5-oxo-10-propylphenothiazin-3-yl)methyl acetate
SMILESCCCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21
InChIInChI=1S/C18H19NO3S/c1-3-10-19-15-6-4-5-7-17(15)23(21)18-11-14(8-9-16(18)19)12-22-13(2)20/h4-9,11H,3,10,12H2,1-2H3
InChIKeyMGNIFABAWIUVDT-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-10-propylphenothiazin-3-yl)methyl acetate?
The IUPAC name of (5-oxo-10-propylphenothiazin-3-yl)methyl acetate (CID 101184152) is (5-oxo-10-propylphenothiazin-3-yl)methyl acetate.
What is the SMILES notation for (5-oxo-10-propylphenothiazin-3-yl)methyl acetate?
The canonical SMILES for (5-oxo-10-propylphenothiazin-3-yl)methyl acetate is CCCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21.
What is the InChIKey of (5-oxo-10-propylphenothiazin-3-yl)methyl acetate?
The InChIKey is MGNIFABAWIUVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-3-10-19-15-6-4-5-7-17(15)23(21)18-11-14(8-9-16(18)19)12-22-13(2)20/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of (5-oxo-10-propylphenothiazin-3-yl)methyl acetate?
(5-oxo-10-propylphenothiazin-3-yl)methyl acetate has a molecular weight of 329.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-10-propylphenothiazin-3-yl)methyl acetate is sourced from PubChem (CID 101184152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).