Basic information
- Standard SMILES
COC(=O)Cc1c(C)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N1CCCC1- InChIKey
JDQFLQCFWKDGED-UHFFFAOYSA-N- Molecular formula
- C30H30N4O3
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.23179083
Names & identifiers
- Preferred name
- Methyl {4-methyl-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidin-1-ylpyrimidin-5-yl}acetate
- IUPAC
- methyl 2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetate
Names & synonyms
SCHEMBL12569065JDQFLQCFWKDGED-UHFFFAOYSA-Nmethyl {4-methyl-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidin-1-ylpyrimidin-5-yl}acetate
Database identifiers
- PubChem CID
- 59514539
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 764
Related reactions
6 records
Compound notes
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