Basic information
- Standard SMILES
CC1(C)CC(=O)c2c(C(F)F)nn(-c3ccc(C(N)=O)c(NC4CCSCC4)c3)c2C1- InChIKey
NHINEJBPKYMQBF-UHFFFAOYSA-N- Molecular formula
- C22H26F2N4O2S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Difluoromethyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)-2-(tetrahydro-thiopyran-4-ylamino)-benzamide
- IUPAC
- 4-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-2-(thian-4-ylamino)benzamide
Names & synonyms
CHEMBL5614974-(3-Difluoromethyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)-2-(tetrahydro-thiopyran-4-ylamino)-benzamideSCHEMBL1219082BDBM504804024-(3-difluoromethyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-thiopyran-4-ylamino)-benzamide
Database identifiers
- PubChem CID
- 44190657
- ChEMBL
CHEMBL561497
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 688
Related reactions
2 records
Compound notes
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