Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2nc(NCCNc3ccc([N+](=O)[O-])cn3)nc(-c3ccc(Cl)cc3Cl)c2C1- InChIKey
BUDDQQFBLDKORR-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2N7O4
- Average molar mass
- 560.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2,4-dichlorophenyl)-2-({2-[(5-nitro(2-pyridyl))-amino]ethyl}amino)-5,6,7,8-tetrahydropyridino[4,3-d]pyrimidine-6-carboxylate
- IUPAC
- tert-butyl 4-(2,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL6224562BUDDQQFBLDKORR-UHFFFAOYSA-Ntert-butyl 4-(2,4-dichlorophenyl)-2-( {2-[(5-nitro(2-pyridyl))amino]ethyl}amino)-5,6,7,8-tetrahydropyridino[4,3-d]pyrimidine-6-carboxylatetert-butyl 4-(2,4-dichlorophenyl)-2-({2-[(5-nitro(2-pyridyl))-amino]ethyl}amino)-5,6,7,8-tetrahydropyridino[4,3-d]pyrimidine-6-carboxylate
Database identifiers
- PubChem CID
- 69711355
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 814
Related reactions
2 records
Compound notes
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