Basic information
- Standard SMILES
Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(n1)N(C)S(=O)(=O)N2CC1CC1(F)F- InChIKey
DWHVFHJICVLAEX-UHFFFAOYSA-N- Molecular formula
- C27H35F2N5O4S
- Average molar mass
- 563.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-{1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxido-1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl}-4-methylbenzyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl]-4-methylphenyl]methyl]piperazine-1-carboxylate
Names & synonyms
tert-butyl 4-(3-{1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxido-1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl}-4-methylbenzyl)piperazine-1-carboxylateSCHEMBL2447665
Database identifiers
- PubChem CID
- 67412149
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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