3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one

C24H20N2O3S — CID 135263689

IUPAC3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(N=C(c3ccccc3)c3ccccc3)csc12
InChIInChI=1S/C24H20N2O3S/c27-20-15-21(26-11-13-28-14-12-26)29-23-19(16-30-24(20)23)25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyBDMORMABFHVMGT-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.86
Rot. Bonds4

About 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one

3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one (PubChem CID 135263689) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
PubChem CID135263689
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(N=C(c3ccccc3)c3ccccc3)csc12
InChIInChI=1S/C24H20N2O3S/c27-20-15-21(26-11-13-28-14-12-26)29-23-19(16-30-24(20)23)25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyBDMORMABFHVMGT-UHFFFAOYSA-N
XLogP4.86
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one (CID 135263689) is 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one is O=c1cc(N2CCOCC2)oc2c(N=C(c3ccccc3)c3ccccc3)csc12.
What is the InChIKey of 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The InChIKey is BDMORMABFHVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-20-15-21(26-11-13-28-14-12-26)29-23-19(16-30-24(20)23)25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one has a molecular weight of 416.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 135263689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).