Basic information
- CAS
622355-37-7- Standard SMILES
Cc1cc(NC(=O)c2cc3ccccc3c(=O)s2)no1- InChIKey
HQDQPHGBQIPTCG-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3S
- Average molar mass
- 286.31 g/mol
- Monoisotopic mass
- 286.04121336
Names & identifiers
- Preferred name
- 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide
Names & synonyms
622355-37-71H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-N-(5-methylisoxazol-3-yl)-1-oxo-1H-isothiochromene-3-carboxamideF1470-0133N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-isothiochromene-3-carboxamideN-(5-Methyl-1,2-oxazol-3-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamideN-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamideCHEMBL3127833DTXSID90351432SMSSF-0041178CCG-25173STK854429
Show more names
AKOS001557071N-(5-methyl-3-isoxazolyl)-1-oxo-1H-2-benzothiin-3-carboxamide
Database identifiers
- CAS
622355-37-7- PubChem CID
- 699992
- DTXSID
DTXSID90351432- ChEMBL
CHEMBL3127833
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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