Structure Info
- Chemspace ID
- CSMB00016919216 (Enamine MADE)
- IUPAC Name
- methyl (2E)-3-(4-benzyl-2-methyl-1,4-diazepan-1-yl)prop-2-enoate
- Mol formula
- C17H24N2O2
- Mol weight
- 288 Da
- Catalog Number(s)
- BBV-76479390, BBV-933311793, CSC016919216
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.55
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.47
- Polar surface area (Å)
- 33
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00016919216
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