Basic information
- Standard SMILES
CC1C(=O)NN=C2COc3cc(Br)c(NC4CN(C(=O)OC(C)(C)C)C4)cc3N21- InChIKey
NUKYTPJZGKOOKN-UHFFFAOYSA-N- Molecular formula
- C19H24BrN5O4
- Average molar mass
- 466.3 g/mol
Names & identifiers
- Preferred name
- 3-(7-Bromo-4-methyl-3-oxo-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-ylamino)-azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[(8-bromo-1-methyl-2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)amino]azetidine-1-carboxylate
Names & synonyms
SCHEMBL15798803NUKYTPJZGKOOKN-UHFFFAOYSA-N3-(7-bromo-4-methyl-3-oxo-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-ylamino)-azetidine-1-carboxylic acid tert-butyl estertert-butyl 3-((8-bromo-1-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-9-yl)amino)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 86727293
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 705
Related reactions
6 records
Compound notes
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