Basic information
- Standard SMILES
CN1CCC(NC(=O)c2cc(F)c(Nc3ncc4c(n3)N(C3CCCCC3)CCC(=O)N4C)cc2F)CC1- InChIKey
QHTORUJFOBVRIZ-UHFFFAOYSA-N- Molecular formula
- C27H35F2N7O2
- Average molar mass
- 527.6 g/mol
Names & identifiers
- Preferred name
- 4-[(2-cyclohexyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2,5-difluoro-N-(1-methyl-4-piperidyl)benzamide
- IUPAC
- 4-[(9-cyclohexyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2,5-difluoro-N-(1-methylpiperidin-4-yl)benzamide
Names & synonyms
SCHEMBL3545757QHTORUJFOBVRIZ-UHFFFAOYSA-N4-[(2-cyclohexyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2,5-difluoro-N-(1-methyl-4-piperidyl)benzamide
Database identifiers
- PubChem CID
- 68684571
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 823
Related reactions
2 records
Compound notes
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