N-(2-Dimethylaminoethyl)-1-phenoxathiincarboxamide
Basic information
- CAS
112022-14-7- Standard SMILES
CN(C)CCNC(=O)c1cccc2c1Sc1ccccc1O2- InChIKey
OXLBMHDCQZQZCM-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10889899
Names & identifiers
- Preferred name
- N-(2-Dimethylaminoethyl)-1-phenoxathiincarboxamide
- IUPAC
- N-[2-(dimethylamino)ethyl]phenoxathiine-1-carboxamide
Names & synonyms
N-(2-Dimethylaminoethyl)-1-phenoxathiincarboxamide112022-14-7CHEMBL160056DTXSID60149828N-[2-(DIMETHYLAMINO)ETHYL]PHENOXATHIINE-1-CARBOXAMIDE
Database identifiers
- CAS
112022-14-7- PubChem CID
- 183389
- DTXSID
DTXSID60149828- ChEMBL
CHEMBL160056
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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