4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine

C19H23N3O2S — CID 72910039

IUPAC4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(N3CCSCC3)nn1)C2
InChIInChI=1S/C19H23N3O2S/c1-23-17-4-2-15-10-14(13-24-18(15)12-17)11-16-3-5-19(21-20-16)22-6-8-25-9-7-22/h2-5,12,14H,6-11,13H2,1H3
InChIKeyLAFVUXWPUXHXGE-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.83
Rot. Bonds4

About 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine

4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine (PubChem CID 72910039) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine.

Molecular Properties

Compound Name4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
PubChem CID72910039
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(N3CCSCC3)nn1)C2
InChIInChI=1S/C19H23N3O2S/c1-23-17-4-2-15-10-14(13-24-18(15)12-17)11-16-3-5-19(21-20-16)22-6-8-25-9-7-22/h2-5,12,14H,6-11,13H2,1H3
InChIKeyLAFVUXWPUXHXGE-UHFFFAOYSA-N
XLogP2.83
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine with MolForge

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Related Compounds

4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-piperidin-1-ylpyrimidine
CID 97270402
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
CID 72849919
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
CID 97131874
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97269712

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine?
The IUPAC name of 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine (CID 72910039) is 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine.
What is the SMILES notation for 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine?
The canonical SMILES for 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine is COc1ccc2c(c1)OCC(Cc1ccc(N3CCSCC3)nn1)C2.
What is the InChIKey of 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine?
The InChIKey is LAFVUXWPUXHXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-23-17-4-2-15-10-14(13-24-18(15)12-17)11-16-3-5-19(21-20-16)22-6-8-25-9-7-22/h2-5,12,14H,6-11,13H2,1H3.
What are the key properties of 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine?
4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine has a molecular weight of 357.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine is sourced from PubChem (CID 72910039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).