Basic information
- Standard SMILES
CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C(=O)OC(C)(C)C)CC2- InChIKey
SABXKNIVPYTMAO-UHFFFAOYSA-N- Molecular formula
- C28H36N6O4
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.27980365
Names & identifiers
- Preferred name
- tert-Butyl 4-(ethyl((tetrahydrofuran-2-yl)methyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
- IUPAC
- tert-butyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL8905475SABXKNIVPYTMAO-UHFFFAOYSA-Ntert-Butyl 4-(ethyl((tetrahydrofuran-2-yl)methyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Database identifiers
- PubChem CID
- 59333809
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 773
Related reactions
4 records
Compound notes
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