Basic information
- Standard SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3-c3ccc4onc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c4c3)cc2F)c(OC)c1- InChIKey
GTTBZOACPSYACQ-UHFFFAOYSA-N- Molecular formula
- C40H38ClF2N5O10S2
- Average molar mass
- 886.3 g/mol
Names & identifiers
- Preferred name
- Di-tert-butyl [5-(5-chloro-2-{4-[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy}phenyl)-1,2-benzoxazol-3-yl]imidodicarbonate
- IUPAC
- tert-butyl N-[5-[5-chloro-2-[4-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy]phenyl]-1,2-benzoxazol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
GTTBZOACPSYACQ-UHFFFAOYSA-Ndi-tert-butyl [5-(5-chloro-2-{4-[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy}phenyl)-1,2-benzoxazol-3-yl]imidodicarbonate
Database identifiers
- PubChem CID
- 123740120
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 15
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
6 records
Compound notes
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