Basic information
- Standard SMILES
CC1C(=O)NN=C2COc3cc(Nc4ccccc4)c(NC4CN(C(=O)OC(C)(C)C)C4)cc3N21- InChIKey
PJWRSNXCCSPOAL-UHFFFAOYSA-N- Molecular formula
- C25H30N6O4
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.23285346
Names & identifiers
- Preferred name
- 3-(4-Methyl-3-oxo-7-phenylamino-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-anilino-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
SCHEMBL15798892PJWRSNXCCSPOAL-UHFFFAOYSA-N3-(4-methyl-3-oxo-7-phenylamino-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-ylamino)-azetidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86727488
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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