Basic information
- Standard SMILES
CCCCCCN(CCCCCC)c1nc(Cl)nc(NC(Cc2ccccc2)C(=O)OCC)n1- InChIKey
HUCGKBVEJFWEGY-UHFFFAOYSA-N- Molecular formula
- C26H40ClN5O2
- Average molar mass
- 490.1 g/mol
- Monoisotopic mass
- 489.2870532
Names & identifiers
- Preferred name
- Ethyl 2-[[4-chloro-6-(dihexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylpropanoate
- IUPAC
- ethyl 2-[[4-chloro-6-(dihexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylpropanoate
Names & synonyms
SCHEMBL3935887
Database identifiers
- PubChem CID
- 22396407
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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