2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

C18H21N3O3S — CID 7205954

IUPAC2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-2-24-15-5-3-14(4-6-15)16-7-8-17(20-19-16)25-13-18(22)21-9-11-23-12-10-21/h3-8H,2,9-13H2,1H3
InChIKeyPHMCYPXIQASMLF-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.49
Rot. Bonds6

About 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 7205954) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID7205954
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-2-24-15-5-3-14(4-6-15)16-7-8-17(20-19-16)25-13-18(22)21-9-11-23-12-10-21/h3-8H,2,9-13H2,1H3
InChIKeyPHMCYPXIQASMLF-UHFFFAOYSA-N
XLogP2.49
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (CID 7205954) is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is CCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is PHMCYPXIQASMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-24-15-5-3-14(4-6-15)16-7-8-17(20-19-16)25-13-18(22)21-9-11-23-12-10-21/h3-8H,2,9-13H2,1H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 359.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 7205954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).