N-(4-methoxybenzyl)-4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide

HCID 89762089

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Basic information

Standard SMILES: COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(c2)OCCN3c2ccc(C(F)(F)F)cc2-c2ccnn2C)cc1
InChIKey: RESWXCUJRICYMP-UHFFFAOYSA-N
Molecular formula: C30H26F3N5O4S2
Average molar mass: 641.7 g/mol

Names & identifiers

Preferred name: N-(4-methoxybenzyl)-4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
IUPAC: N-[(4-methoxyphenyl)methyl]-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Names & synonyms

N-(4-methoxybenzyl)-4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamideSCHEMBL15202546

Database identifiers

PubChem CID: 89762089

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 126 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 1,060

Related reactions

1 records

New reaction record

HRID 528542As productuspto-grants-2016_05

Compound notes

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