Basic information
- Standard SMILES
COc1ccc(CC2CCN(CC(=O)Nc3cc(NCCNC(C)=O)nc(-c4ccccc4)n3)CC2)cc1- InChIKey
TVXDSTPQFGHNHS-UHFFFAOYSA-N- Molecular formula
- C29H36N6O3
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.28488903
Names & identifiers
- Preferred name
- N-[6-(2-Acetylaminoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-methoxybenzyl)-piperidin-1-yl]-acetamide
- IUPAC
- N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide
Names & synonyms
SCHEMBL3156575TVXDSTPQFGHNHS-UHFFFAOYSA-NN-[6-(2-Acetylaminoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-methoxybenzyl)-piperidin-1-yl]-acetamide
Database identifiers
- PubChem CID
- 22353522
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
Loading…