Basic information
- Standard SMILES
CCOC(=O)C=C(c1ccccc1)n1ccc2cc(OCCc3cccc(N(C)C(=O)OC(C)(C)C)n3)ccc21- InChIKey
PMPHYADQRGIQDQ-UHFFFAOYSA-N- Molecular formula
- C32H35N3O5
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- 3-(5-{2-[6-(tert-Butoxycarbonyl-methyl-amino)-pyridin-2-yl]-ethoxy}-indol-1-yl)-3-phenyl-acrylic acid ethyl ester
- IUPAC
- ethyl 3-[5-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylprop-2-enoate
Names & synonyms
SCHEMBL854074PMPHYADQRGIQDQ-UHFFFAOYSA-N3-(5-{2-[6-(tert-Butoxycarbonyl-methyl-amino)-pyridin-2-yl]-ethoxy}-indol-1-yl)-3-phenyl-acrylic acid ethyl ester
Database identifiers
- PubChem CID
- 66819643
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 865
Related reactions
3 records
Compound notes
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