Basic information
- Standard SMILES
COC(=O)c1cc2ccccc2cc1NC(=O)c1cccc(CN(CC(C)O)CC(C)O)c1- InChIKey
LNPUYMFVIKRBBV-UHFFFAOYSA-N- Molecular formula
- C26H30N2O5
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.21547206
Names & identifiers
- Preferred name
- 3-(3-{[Bis-(2-hydroxy-propyl)-amino]-methyl}-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]naphthalene-2-carboxylate
Names & synonyms
SCHEMBL266202LNPUYMFVIKRBBV-UHFFFAOYSA-N3-(3-{[bis-(2-hydroxy-propyl)-amino]-methyl}-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66637804
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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