Glycine, N-(6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)-, S,S-dioxide
Basic information
- CAS
30123-19-4- Standard SMILES
CN1c2ccccc2C(NCC(=O)O)c2ccccc2S1(=O)=O- InChIKey
UUQFBESHZNTLRL-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.08307817
Names & identifiers
- Preferred name
- Glycine, N-(6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)-, S,S-dioxide
- IUPAC
- 2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]acetic acid
Names & synonyms
DTXSID301134762Glycine, N-(6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)-, S,S-dioxide30123-19-4N-(6-Methyl-5,5-dioxo-6,11-dihydro-5H-5lambda~6~-dibenzo[c,f][1,2]thiazepin-11-yl)glycine
Database identifiers
- CAS
30123-19-4- PubChem CID
- 165342467
- DTXSID
DTXSID301134762
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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