Basic information
- Standard SMILES
C#CCCN(CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)C(=O)OC(C)(C)C- InChIKey
JDYFOQOAKDWNBE-UHFFFAOYSA-N- Molecular formula
- C27H33N5O3
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-but-3-ynyl-N-[2-[2-(indan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxo-ethyl]carbamate
- IUPAC
- tert-butyl N-but-3-ynyl-N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL15875040JDYFOQOAKDWNBE-UHFFFAOYSA-Ntert-butyl N-but-3-ynyl-N-[2-[2-(indan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxo-ethyl]carbamate
Database identifiers
- PubChem CID
- 86726552
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 788
Related reactions
1 records
Compound notes
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