Basic information
- Standard SMILES
CC1COc2c(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
HMAJVTFVWNVMBA-QRUKAPELSA-N- Molecular formula
- C23H28FN3O6
- Average molar mass
- 461.5 g/mol
Names & identifiers
- Preferred name
- 10-(cis-3-t-Butoxycarbonylamino-4-methyl-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
- IUPAC
- 7-fluoro-2-methyl-6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Names & synonyms
SCHEMBL10686623HMAJVTFVWNVMBA-QRUKAPELSA-N10-(cis-3-t-Butoxycarbonylamino-4-methyl-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
Database identifiers
- PubChem CID
- 70419397
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 858
Related reactions
2 records
Compound notes
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