Structure Info
- Chemspace ID
- CSMB00000704525 (Enamine MADE)
- CAS
- 745025-03-0
- MFCD
- MFCD05268977
- IUPAC Name
- methyl 4-{[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]methyl}benzoate
- Mol formula
- C16H17NO5S
- Mol weight
- 335 Da
- Catalog Number(s)
- BD00975726, CS-0347244, CSC000704525, EN300-14462, HY-W302401
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.38
- Heavy atoms count
- 23
- Rotatable bond count
- 7
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.312
- Polar surface area (Å)
- 73
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000704525
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