Basic information
- Standard SMILES
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)Nc1ccccc1)CC2(C)CC(=O)OC(C)(C)C- InChIKey
LZDFAJOQSKYPDW-UHFFFAOYSA-N- Molecular formula
- C32H36N4O6
- Average molar mass
- 572.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[8-methyl-4-oxo-6-(phenylcarbamoyl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidin-8-yl]acetate
- IUPAC
- tert-butyl 2-[8-methyl-4-oxo-6-(phenylcarbamoyl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidin-8-yl]acetate
Names & synonyms
SCHEMBL5902345
Database identifiers
- PubChem CID
- 69600882
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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