Basic information
- Standard SMILES
CC1COc2c(N3CC[C@H](NC(=O)OC(C)(C)C)C3)c(F)cc3c(=O)n(N)c(=O)n1c23- InChIKey
LJIXGPMEEZLZOQ-DTIOYNMSSA-N- Molecular formula
- C20H26FN5O5
- Average molar mass
- 435.4 g/mol
Names & identifiers
- Preferred name
- [(S)-1-(5-Amino-8-fluoro-3-methyl-4,6-dioxo-2,3,5,6-tetrahydro-4H-1-oxa-3a, 5-diazaphenalen-9-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(3S)-1-(3-amino-7-fluoro-12-methyl-2,4-dioxo-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-8-yl)pyrrolidin-3-yl]carbamate
Names & synonyms
SCHEMBL4510478LJIXGPMEEZLZOQ-DTIOYNMSSA-N[(S)-1-(5-Amino-8-fluoro-3-methyl-4,6-dioxo-2,3,5,6-tetrahydro-4H-1-oxa-3a, 5-diazaphenalen-9-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester[(S)-1-(5-Amino-8-fluoro-3-methyl-4,6-dioxo-2,3,5,6-tetrahydro-4H-1-oxa-3a,5-diazaphenalen-9-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69073124
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 761
Related reactions
2 records
Compound notes
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