Basic information
- Standard SMILES
O=c1oc(-c2cc(C(F)(F)F)nn2-c2ncccc2Cl)nc2c(Cl)cccc12- InChIKey
NSQCIOMPQHPMNB-UHFFFAOYSA-N- Molecular formula
- C17H7Cl2F3N4O2
- Average molar mass
- 427.2 g/mol
Names & identifiers
- Preferred name
- 8-chloro-2-[1-(3-chloro-2-pyridinyl)-3-trifluoromethyl-1H-pyrazol-5-yl]-4H-3,1-benzoxazine-4-one
- IUPAC
- 8-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-3,1-benzoxazin-4-one
Names & synonyms
8-chloro-2-[1-(3-chloro-2-pyridinyl)-3-trifluoromethyl-1H-pyrazol-5-yl]-4H-3,1-benzoxazine-4-oneSCHEMBL950425
Database identifiers
- PubChem CID
- 57437791
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 650
Related reactions
4 records
Linked notes
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