Basic information
- Standard SMILES
CCOC(=O)CCCn1cc(C(=O)c2ccc(N)c(OCCCN3CCN(c4ccccc4OC)CC3)c2)c2ccccc21- InChIKey
ZETGQQYEKSBKIJ-UHFFFAOYSA-N- Molecular formula
- C35H42N4O5
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.31552045
Names & identifiers
- Preferred name
- Ethyl 4-[3-[4-amino-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoyl]indol-1-yl]butanoate
- IUPAC
- ethyl 4-[3-[4-amino-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoyl]indol-1-yl]butanoate
Database identifiers
- PubChem CID
- 21197993
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 898
Related reactions
2 records
Linked notes
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