Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2- InChIKey
PPKPNQFNZPPTPZ-UHFFFAOYSA-N- Molecular formula
- C28H27Cl2N3O3
- Average molar mass
- 524.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-(4-(2,4-dichlorophenyl)-2-oxopyridin-1(2H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
- IUPAC
- tert-butyl 7-[4-(2,4-dichlorophenyl)-2-oxo-1-pyridinyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
Names & synonyms
SCHEMBL11421816PPKPNQFNZPPTPZ-UHFFFAOYSA-Ntert-Butyl 7-(4-(2,4-dichlorophenyl)-2-oxopyridin-1(2H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
Database identifiers
- PubChem CID
- 57950476
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 931
Related reactions
4 records
Compound notes
Loading…