5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one

C25H24N2O6S — CID 67121865

IUPAC5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one
SMILESCOc1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)n1
InChIInChI=1S/C25H24N2O6S/c1-31-24-6-3-7-25(26-24)33-21-5-2-4-19-20(21)12-13-22(19)32-18-10-8-16(9-11-18)17-14-23(28)27-34(29,30)15-17/h2-11,17,22H,12-15H2,1H3,(H,27,28)/t17?,22-/m1/s1
InChIKeyQZGIGIBBNNBZND-IVAFLUGOSA-N
MW480.54 g/mol
LogP3.88
Rot. Bonds6

About 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one

5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one (PubChem CID 67121865) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one
PubChem CID67121865
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one
SMILESCOc1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)n1
InChIInChI=1S/C25H24N2O6S/c1-31-24-6-3-7-25(26-24)33-21-5-2-4-19-20(21)12-13-22(19)32-18-10-8-16(9-11-18)17-14-23(28)27-34(29,30)15-17/h2-11,17,22H,12-15H2,1H3,(H,27,28)/t17?,22-/m1/s1
InChIKeyQZGIGIBBNNBZND-IVAFLUGOSA-N
XLogP3.88
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one?
The IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one (CID 67121865) is 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one?
The canonical SMILES for 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one is COc1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)n1.
What is the InChIKey of 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one?
The InChIKey is QZGIGIBBNNBZND-IVAFLUGOSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-31-24-6-3-7-25(26-24)33-21-5-2-4-19-20(21)12-13-22(19)32-18-10-8-16(9-11-18)17-14-23(28)27-34(29,30)15-17/h2-11,17,22H,12-15H2,1H3,(H,27,28)/t17?,22-/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one?
5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one has a molecular weight of 480.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 67121865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).