Structure Info
- Chemspace ID
- CSSS00036076222 (In-Stock Screening Compounds)
- CAS
- 1055880-94-8
- MFCD
- MFCD31435784
- IUPAC Name
- 4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid
- Mol formula
- C15H19NO5
- Mol weight
- 293 Da
- Catalog Number(s)
- AR01ELF6, AX59462, BB4LS-EN300-705572, BBV-110489203, CSC036076222, EN300-705572, FSB88094, Y3229091, Z2851855132
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.14
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.466
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00036076222
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