Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2cnc3c(cc(Br)c4ccccc43)c2=O)C(O)C1- InChIKey
NTXNRWMOBFALBO-UHFFFAOYSA-N- Molecular formula
- C22H24BrN3O4
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.09502
Names & identifiers
- Preferred name
- tert-butyl rac-(3R,4R)-4-(6-bromo-4-oxobenzo[h]quinazolin-3(4H)-yl)-3-hydroxypiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(6-bromo-4-oxobenzo[h]quinazolin-3-yl)-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL9931147NTXNRWMOBFALBO-UHFFFAOYSA-Ntert-butyl rac-(3R,4R)-4-(6-bromo-4-oxobenzo[h]quinazolin-3(4H)-yl)-3-hydroxypiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67970513
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
Loading…