4-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
4-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0903 |
| Compound Name: | 4-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C28 H30 N2 O5 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC1=CC(=O)Oc3ccc(cc13)OCC)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.5531 |
| logD: | 3.3686 |
| logSw: | -3.6456 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 55.45 |
| InChI Key: | BZXUYQDPIJEWGS-UHFFFAOYSA-N |