Basic information
- CAS
380460-98-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2oc1=O- InChIKey
USJAPARMHTWDQN-UHFFFAOYSA-N- Molecular formula
- C21H20N2O6S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.10420754
Names & identifiers
- Preferred name
- N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
- IUPAC
- N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
Names & synonyms
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamideMLS002248052CHEMBL1875305DTXSID901332750HMS3081G06AKOS033965543380460-98-0SMR001315533Z26466488N-[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Database identifiers
- CAS
380460-98-0- PubChem CID
- 4092887
- DTXSID
DTXSID901332750- ChEMBL
CHEMBL1875305
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 799
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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