6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione

C14H10BrNO4S — CID 170859924

IUPAC6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(Br)sc32)cc1
InChIInChI=1S/C14H10BrNO4S/c1-19-9-4-2-8(3-5-9)7-16-12-10(6-11(15)21-12)13(17)20-14(16)18/h2-6H,7H2,1H3
InChIKeyMSJGIXVOBCHJIU-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.84
Rot. Bonds3

About 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione

6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 170859924) has the molecular formula C14H10BrNO4S and a molecular weight of 368.21 g/mol. Its IUPAC name is 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione
PubChem CID170859924
Molecular FormulaC14H10BrNO4S
Molecular Weight368.21 g/mol
Exact Mass366.95
IUPAC Name6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(Br)sc32)cc1
InChIInChI=1S/C14H10BrNO4S/c1-19-9-4-2-8(3-5-9)7-16-12-10(6-11(15)21-12)13(17)20-14(16)18/h2-6H,7H2,1H3
InChIKeyMSJGIXVOBCHJIU-UHFFFAOYSA-N
XLogP2.84
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione (CID 170859924) is 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione is COc1ccc(Cn2c(=O)oc(=O)c3cc(Br)sc32)cc1.
What is the InChIKey of 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is MSJGIXVOBCHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4S/c1-19-9-4-2-8(3-5-9)7-16-12-10(6-11(15)21-12)13(17)20-14(16)18/h2-6H,7H2,1H3.
What are the key properties of 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione?
6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 368.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 170859924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).