Basic information
- Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(c2)OCCN3c2ccc(C(F)(F)F)cc2C2=CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
CLPKKVAQCKYJIY-UHFFFAOYSA-N- Molecular formula
- C36H37F3N4O6S2
- Average molar mass
- 742.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(2-(7-(N-(4-methoxybenzyl)-N-(thiazol-2-yl)sulfamoyl)-2H-benzo[b][1,4]oxazin-4(3 H)-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2 H)-carboxylate
- IUPAC
- tert-butyl 4-[2-[7-[(4-methoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-5-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
tert-butyl 4-(2-(7-(N-(4-methoxybenzyl)-N-(thiazol-2-yl)sulfamoyl)-2H-benzo[b][1,4]oxazin-4(3 H)-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2 H)-carboxylateSCHEMBL15202311tert-butyl 4-(2-(7-(N-(4-methoxybenzyl)-N-(thiazol-2-yl)sulfamoyl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 89761906
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
1 records
Compound notes
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