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Basic information
- Standard SMILES
Cc1cc(Br)ccc1C1SCC(=O)Nc2c1c(-c1ccccn1)nn2C- InChIKey
MAOLVHLMJDKJKU-UHFFFAOYSA-N- Molecular formula
- C19H17BrN4OS
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-methyl-phenyl)-1-methyl-3-(2-pyridyl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
- IUPAC
- 4-(4-bromo-2-methylphenyl)-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Names & synonyms
SCHEMBL15813702MAOLVHLMJDKJKU-UHFFFAOYSA-N4-(4-bromo-2-methyl-phenyl)-1-methyl-3-(2-pyridyl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Database identifiers
- PubChem CID
- 136348451
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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