Basic information
- Standard SMILES
O=C1COC2=C(Cl)N=C(CNC3CCN(CC4Cn5c(=O)ccc6ccc(=O)n4c65)CC3)NC2=N1- InChIKey
UTOPGSISJNOHQK-UHFFFAOYSA-N- Molecular formula
- C23H24ClN7O4
- Average molar mass
- 497.9 g/mol
- Monoisotopic mass
- 497.15783
Names & identifiers
- Preferred name
- 2-[[4-[(4-chloro-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
- IUPAC
- 2-[[4-[(4-chloro-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Names & synonyms
SCHEMBL21372283
Database identifiers
- PubChem CID
- 139502735
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
Loading…