Basic information
- Standard SMILES
C=CCc1cc(C(F)(F)F)ccc1N1CCOc2cc(S(=O)(=O)N(Cc3ccc(OC)cc3)c3nccs3)ccc21- InChIKey
KDILAHPLPVCNON-UHFFFAOYSA-N- Molecular formula
- C29H26F3N3O4S2
- Average molar mass
- 601.7 g/mol
- Monoisotopic mass
- 601.13168315
Names & identifiers
- Preferred name
- 4-(2-allyl-4-(trifluoromethyl)phenyl)-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
- IUPAC
- N-[(4-methoxyphenyl)methyl]-4-[2-prop-2-enyl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
Names & synonyms
4-(2-allyl-4-(trifluoromethyl)phenyl)-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamideSCHEMBL15202544
Database identifiers
- PubChem CID
- 89762087
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 973
Related reactions
1 records
Compound notes
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