Basic information
- Standard SMILES
CCc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1- InChIKey
AJGYXNDTRAUZKE-UHFFFAOYSA-N- Molecular formula
- C24H26N2O4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.18925731
Names & identifiers
- Preferred name
- 4-(1-Benzo{1,3}dioxol-5-ylmethyl-piperidin-4-ylamino)-6-ethyl-chromen-2-One
- IUPAC
- 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-ethylchromen-2-one
Names & synonyms
SCHEMBL6188058AJGYXNDTRAUZKE-UHFFFAOYSA-N4-(1-Benzo{1,3}dioxol-5-ylmethyl-piperidin-4-ylamino)-6-ethyl-chromen-2-One
Database identifiers
- PubChem CID
- 10024312
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
Loading…