Structure Info
- Chemspace ID
- CSCS00000000045 (Synthesis)
- MFCD
- MFCD01461614
- IUPAC Name
- 4-benzyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
- Mol formula
- C17H19NO4
- Mol weight
- 301 Da
- Catalog Number(s)
- 8009-1570, 8877463, BBV-78423703, CSC000000045, CSCR00112910631, FCH3039603, OSSL_627793, STK759500, UZI/2604803, Z15670485, s_1458____470766____483930
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.77
- Heavy atoms count
- 22
- Rotatable bond count
- 7
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.294
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00000000045
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