Basic information
- Standard SMILES
CCCCN(CCCC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-]- InChIKey
LKTXEFSEHKHEBG-UHFFFAOYSA-N- Molecular formula
- C27H36N6O6
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- N-[2-(Dibutylamino)ethyl]-N'-{4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-2-nitrophenyl}urea
- IUPAC
- 1-[2-(dibutylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea
Names & synonyms
SCHEMBL5825779LKTXEFSEHKHEBG-UHFFFAOYSA-NN-[2-(Dibutylamino)ethyl]-N'-{4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-2-nitrophenyl}urea
Database identifiers
- PubChem CID
- 21890960
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
Loading…