7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one

C14H11NO4S — CID 67715309

IUPAC7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one
SMILESCOC1=NS(=O)(=O)c2ccccc2C2=C1C=CCC2=O
InChIInChI=1S/C14H11NO4S/c1-19-14-10-6-4-7-11(16)13(10)9-5-2-3-8-12(9)20(17,18)15-14/h2-6,8H,7H2,1H3
InChIKeySVYOAGVHIMJMHS-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.72
Rot. Bonds

About 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one

7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one (PubChem CID 67715309) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one.

Molecular Properties

Compound Name7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one
PubChem CID67715309
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one
SMILESCOC1=NS(=O)(=O)c2ccccc2C2=C1C=CCC2=O
InChIInChI=1S/C14H11NO4S/c1-19-14-10-6-4-7-11(16)13(10)9-5-2-3-8-12(9)20(17,18)15-14/h2-6,8H,7H2,1H3
InChIKeySVYOAGVHIMJMHS-UHFFFAOYSA-N
XLogP1.72
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one?
The IUPAC name of 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one (CID 67715309) is 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one.
What is the SMILES notation for 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one?
The canonical SMILES for 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one is COC1=NS(=O)(=O)c2ccccc2C2=C1C=CCC2=O.
What is the InChIKey of 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one?
The InChIKey is SVYOAGVHIMJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-19-14-10-6-4-7-11(16)13(10)9-5-2-3-8-12(9)20(17,18)15-14/h2-6,8H,7H2,1H3.
What are the key properties of 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one?
7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one has a molecular weight of 289.31 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,5-dioxo-10H-benzo[d][1,2]benzothiazepin-11-one is sourced from PubChem (CID 67715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).