Basic information
- Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc3c(cc2Cl)NCCO3)cc1- InChIKey
KVQTVSJCHPDKOX-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O4S2
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.0427261
Names & identifiers
- Preferred name
- 6-chloro-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
- IUPAC
- 6-chloro-N-[(4-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Names & synonyms
SCHEMBL15201670KVQTVSJCHPDKOX-UHFFFAOYSA-N6-chloro-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
Database identifiers
- PubChem CID
- 89761429
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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