2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-
Basic information
- CAS
195191-15-2- Standard SMILES
O=C1CCC(=O)N1CNc1ccc2c(c1)Sc1ccccc1O2- InChIKey
OATLCDUIEUHONI-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.07251349
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-
- IUPAC
- 1-[(phenoxathiin-2-ylamino)methyl]pyrrolidine-2,5-dione
Names & synonyms
2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-195191-15-2NSC707091CHEMBL1971645DTXSID30327959NSC-707091NCI60_0380831-{[(PHENOXATHIIN-2-YL)AMINO]METHYL}PYRROLIDINE-2,5-DIONE
Database identifiers
- CAS
195191-15-2- PubChem CID
- 398018
- DTXSID
DTXSID30327959- ChEMBL
CHEMBL1971645
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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