Basic information
- Standard SMILES
COc1cccc(CN(C)C(=O)C=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)c1OC(C)C- InChIKey
BOFOIPZRAXFDNQ-UHFFFAOYSA-N- Molecular formula
- C28H37N5O5
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.2794693
Names & identifiers
- Preferred name
- N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-N-methyl-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
- IUPAC
- N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-N-methyl-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
Names & synonyms
SCHEMBL5076331
Database identifiers
- PubChem CID
- 66966873
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 805
Related reactions
1 records
Compound notes
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