Basic information
- Standard SMILES
CCOC(=O)OC(C)OC(=O)C(C)(C)c1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)nc(OC)n2)c1- InChIKey
BMGFBNWIPWZZBK-UHFFFAOYSA-N- Molecular formula
- C28H31Cl2N3O6
- Average molar mass
- 576.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid 1-ethoxycarbonyloxy-ethyl ester
- IUPAC
- 1-ethoxycarbonyloxyethyl 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoate
Names & synonyms
SCHEMBL4504496BMGFBNWIPWZZBK-UHFFFAOYSA-N2-(3-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid 1-ethoxycarbonyloxy-ethyl ester
Database identifiers
- PubChem CID
- 57636019
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
Loading…