Basic information
- Standard SMILES
COc1cc2oc(=O)c3c(c2cc1OCCCN1CCN(c2ccccc2O)CC1)CCC3- InChIKey
YWZUKPXGBPSKFM-UHFFFAOYSA-N- Molecular formula
- C26H30N2O5
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- 2,3-dihydro-8-{3-[4-(2-hydroxyphenyl)-1-piperazinyl]propoxy}-7-methoxy-cyclopenta[c][1]benzopyran-4(1H)-one
- IUPAC
- 8-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propoxy]-7-methoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Names & synonyms
SCHEMBL8809544YWZUKPXGBPSKFM-UHFFFAOYSA-N2,3-dihydro-8-{3-[4-(2-hydroxyphenyl)-1-piperazinyl]propoxy}-7-methoxy-cyclopenta[c][1]benzopyran-4(1H)-one
Database identifiers
- PubChem CID
- 19927699
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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