4-(5-cyano-2-methoxyphenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide

HCID 89761997
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Basic information

Standard SMILES
COc1ccc(C#N)cc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIKey
XJCDBKILRVMUNF-UHFFFAOYSA-N
Molecular formula
C19H16N4O4S2
Average molar mass
428.5 g/mol
Monoisotopic mass
428.06129735

Names & identifiers

Preferred name
4-(5-cyano-2-methoxyphenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
IUPAC
4-(5-cyano-2-methoxyphenyl)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Names & synonyms

CHEMBL3943304SCHEMBL15202429XJCDBKILRVMUNF-UHFFFAOYSA-NBDBM231477US9346798, 2254-(5-cyano-2-methoxyphenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide

Database identifiers

PubChem CID
89761997
ChEMBL
CHEMBL3943304

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
141 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
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Compound notes

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