Basic information
- Standard SMILES
CC(C)N1CC(F)(F)C(=O)N(C)c2cnc(Cl)nc21- InChIKey
VSWUXJWUEXNGLF-UHFFFAOYSA-N- Molecular formula
- C11H13ClF2N4O
- Average molar mass
- 290.7 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
- IUPAC
- 2-chloro-7,7-difluoro-5-methyl-9-propan-2-yl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
Names & synonyms
2-chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneSCHEMBL1559398SCHEMBL301357441137870-04-22-CHLORO-7,7-DIFLUORO-5-METHYL-9-(PROPAN-2-YL)-5H,6H,7H,8H,9H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6-ONEF979682-chloro-7,7-difluoro-9-isopropyl-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
Database identifiers
- PubChem CID
- 86635900
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
12 records
Linked notes
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