Basic information
- Standard SMILES
CCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccc4)ccc3n2C)c(OC)c1- InChIKey
OUQJOGAONYBAFZ-UHFFFAOYSA-N- Molecular formula
- C35H42N6O6
- Average molar mass
- 642.7 g/mol
Names & identifiers
- Preferred name
- ethyl 3-(N-[2-[[2-methoxy-4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate
- IUPAC
- ethyl 3-(N-[2-[[2-methoxy-4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate
Database identifiers
- PubChem CID
- 140435596
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
3 records
Compound notes
Loading…