8-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-{1-[3-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl]cyclopropyl}-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine
Basic information
- Standard SMILES
Cn1cc(-c2ccc(C3(c4nnc5n4CCSC(C)(CO[Si](C)(C)C(C)(C)C)C5)CC3)cc2F)cn1- InChIKey
CCFPDTDZJVXWLE-UHFFFAOYSA-N- Molecular formula
- C27H38FN5OSSi
- Average molar mass
- 527.8 g/mol
Names & identifiers
- Preferred name
- 8-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-{1-[3-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl]cyclopropyl}-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine
- IUPAC
- tert-butyl-[[3-[1-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]-8-methyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methoxy]-dimethylsilane
Names & synonyms
SCHEMBL15484047CCFPDTDZJVXWLE-UHFFFAOYSA-N8-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-{1-[3-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl]cyclopropyl}-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine
Database identifiers
- PubChem CID
- 86712972
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 795
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…